CCS search

Match a measured Collision Cross Section against PubChemLite's predictions within a tolerance window, for a chosen ionization mode or a specific adduct. Optionally narrow further by adding a measured m/z with its own Da or ppm tolerance — a compound matches only when the same adduct fits both the CCS and m/z windows.

Search for

Looking for compounds with CCS between 132.890 and 141.110 Ų in positive mode, with m/z between 163.1222 and 163.1238 Da .

179 compounds found. Download CSV ↓ up to 10 000 rows

Sorted by annotation hits → literature count → patent count. Most-documented compounds appear first.

Benzenecarboximidamide, n,n',4-trimethyl-, monohydrochloride

2D structure of Benzenecarboximidamide, n,n',4-trimethyl-, monohydrochloride
[M+H]+
135.60 Ų
Annotation hits
1
Literature count
0
Patent count
26
Formula
C10H14N2
Mass
162.11569 Da

3-phenylpyrrolidin-3-amine

2D structure of 3-phenylpyrrolidin-3-amine
[M+H]+
135.10 Ų
Annotation hits
1
Literature count
0
Patent count
26
Formula
C10H14N2
Mass
162.11569 Da

1-methyl-2-phenylimidazolidine

2D structure of 1-methyl-2-phenylimidazolidine
[M+H]+
135.70 Ų
Annotation hits
1
Literature count
0
Patent count
26
Formula
C10H14N2
Mass
162.11569 Da

1909312-18-0

2D structure of 1909312-18-0
[M+H]+
136.00 Ų
Annotation hits
1
Literature count
0
Patent count
25
Formula
C10H14N2
Mass
162.11569 Da

68104-02-9

2D structure of 68104-02-9
[M+H-H2O]+
133.40 Ų
Annotation hits
1
Literature count
0
Patent count
24
Formula
C10H16N2O
Mass
180.12627 Da

1850-63-1

2D structure of 1850-63-1
[M+H-H2O]+
135.30 Ų
Annotation hits
1
Literature count
0
Patent count
23
Formula
C10H16N2O
Mass
180.12627 Da

1228994-77-1

2D structure of 1228994-77-1
[M+H]+
135.20 Ų
Annotation hits
1
Literature count
0
Patent count
21
Formula
C10H14N2
Mass
162.11569 Da

298181-98-3

2D structure of 298181-98-3
[M+H]+
134.30 Ų
Annotation hits
1
Literature count
0
Patent count
20
Formula
C10H14N2
Mass
162.11569 Da

78982-94-2

2D structure of 78982-94-2
[M+H-H2O]+
134.80 Ų
Annotation hits
1
Literature count
0
Patent count
19
Formula
C10H16N2O
Mass
180.12627 Da

6-cyclopentylpyridin-3-amine

2D structure of 6-cyclopentylpyridin-3-amine
[M+H]+
134.60 Ų
Annotation hits
1
Literature count
0
Patent count
19
Formula
C10H14N2
Mass
162.11569 Da

4,6-diisopropylpyrimidin-2(1h)-one

2D structure of 4,6-diisopropylpyrimidin-2(1h)-one
[M+H-H2O]+
133.10 Ų
Annotation hits
1
Literature count
0
Patent count
19
Formula
C10H16N2O
Mass
180.12627 Da

1018827-45-6

2D structure of 1018827-45-6
[M+H]+
135.70 Ų
Annotation hits
1
Literature count
0
Patent count
19
Formula
C10H14N2
Mass
162.11569 Da

4-(piperidin-3-yl)pyridine dihydrochloride

2D structure of 4-(piperidin-3-yl)pyridine dihydrochloride
[M+H]+
136.00 Ų
Annotation hits
1
Literature count
0
Patent count
18
Formula
C10H14N2
Mass
162.11569 Da

27159-75-7

2D structure of 27159-75-7
[M+H]+
135.20 Ų
Annotation hits
1
Literature count
0
Patent count
18
Formula
C10H14N2
Mass
162.11569 Da

[6-(tert-butoxy)pyridin-3-yl]methanamine

2D structure of [6-(tert-butoxy)pyridin-3-yl]methanamine
[M+H-H2O]+
135.00 Ų
Annotation hits
1
Literature count
0
Patent count
17
Formula
C10H16N2O
Mass
180.12627 Da

5-cyclopentylpyridin-2-amine

2D structure of 5-cyclopentylpyridin-2-amine
[M+H]+
134.60 Ų
Annotation hits
1
Literature count
0
Patent count
17
Formula
C10H14N2
Mass
162.11569 Da

3-(benzyloxy)propane-1,2-diamine

2D structure of 3-(benzyloxy)propane-1,2-diamine
[M+H-H2O]+
133.90 Ų
Annotation hits
1
Literature count
0
Patent count
17
Formula
C10H16N2O
Mass
180.12627 Da

1-methyl-1,2,3,4-tetrahydroquinolin-3-amine dihydrochloride

2D structure of 1-methyl-1,2,3,4-tetrahydroquinolin-3-amine dihydrochloride
[M+H]+
134.30 Ų
Annotation hits
1
Literature count
0
Patent count
17
Formula
C10H14N2
Mass
162.11569 Da

3-methyl-5-(pyrrolidin-2-yl)pyridine

2D structure of 3-methyl-5-(pyrrolidin-2-yl)pyridine
[M+H]+
135.70 Ų
Annotation hits
1
Literature count
0
Patent count
16
Formula
C10H14N2
Mass
162.11569 Da

4-[(pyrrolidin-3-yl)methyl]pyridine

2D structure of 4-[(pyrrolidin-3-yl)methyl]pyridine
[M+H]+
135.70 Ų
Annotation hits
1
Literature count
0
Patent count
15
Formula
C10H14N2
Mass
162.11569 Da

2344685-09-0

2D structure of 2344685-09-0
[M+H]+
134.70 Ų
Annotation hits
1
Literature count
0
Patent count
14
Formula
C10H14N2
Mass
162.11569 Da

2-(propan-2-yl)benzene-1-carboximidamide hydrochloride

2D structure of 2-(propan-2-yl)benzene-1-carboximidamide hydrochloride
[M+H]+
136.70 Ų
Annotation hits
1
Literature count
0
Patent count
14
Formula
C10H14N2
Mass
162.11569 Da

2763775-90-0

2D structure of 2763775-90-0
[M+H]+
133.00 Ų
Annotation hits
1
Literature count
0
Patent count
13
Formula
C10H14N2
Mass
162.11569 Da

2-(2,3-dihydro-1h-isoindol-2-yl)ethan-1-amine

2D structure of 2-(2,3-dihydro-1h-isoindol-2-yl)ethan-1-amine
[M+H]+
134.40 Ų
Annotation hits
1
Literature count
0
Patent count
11
Formula
C10H14N2
Mass
162.11569 Da

(cyclopropylmethyl)[(pyridin-3-yl)methyl]amine hydrochloride

2D structure of (cyclopropylmethyl)[(pyridin-3-yl)methyl]amine hydrochloride
[M+H]+
135.40 Ų
Annotation hits
1
Literature count
0
Patent count
11
Formula
C10H14N2
Mass
162.11569 Da

(1-methyl-2,3-dihydro-1h-indol-5-yl)methanamine

2D structure of (1-methyl-2,3-dihydro-1h-indol-5-yl)methanamine
[M+H]+
134.50 Ų
Annotation hits
1
Literature count
0
Patent count
11
Formula
C10H14N2
Mass
162.11569 Da

697307-13-4

2D structure of 697307-13-4
[M+H-H2O]+
133.50 Ų
Annotation hits
1
Literature count
0
Patent count
10
Formula
C10H16N2O
Mass
180.12627 Da

Cyclobutyl(pyridin-2-yl)methanamine

2D structure of Cyclobutyl(pyridin-2-yl)methanamine
[M+H]+
135.00 Ų
Annotation hits
1
Literature count
0
Patent count
8
Formula
C10H14N2
Mass
162.11569 Da

Acetophenone, dimethylhydrazone

2D structure of Acetophenone, dimethylhydrazone
[M+H]+
135.80 Ų
Annotation hits
1
Literature count
0
Patent count
8
Formula
C10H14N2
Mass
162.11569 Da

183609-12-3

2D structure of 183609-12-3
[M+H]+
135.30 Ų
Annotation hits
1
Literature count
0
Patent count
8
Formula
C10H14N2
Mass
162.11569 Da