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 .

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

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

Nicotine

2D structure of Nicotine
[M+H]+
135.10 Ų
Annotation hits
11
Literature count
39835
Patent count
57611
Formula
C10H14N2
Mass
162.11569 Da

Anabasine

2D structure of Anabasine
[M+H]+
136.00 Ų
Annotation hits
8
Literature count
406
Patent count
14459
Formula
C10H14N2
Mass
162.11569 Da

Rilmenidine

2D structure of Rilmenidine
[M+H-H2O]+
140.00 Ų
Annotation hits
6
Literature count
446
Patent count
4679
Formula
C10H16N2O
Mass
180.12627 Da

33089-74-6

2D structure of 33089-74-6
[M+H]+
134.40 Ų
Annotation hits
5
Literature count
19
Patent count
896
Formula
C10H14N2
Mass
162.11569 Da

1-phenylpiperazine

2D structure of 1-phenylpiperazine
[M+H]+
136.00 Ų
Annotation hits
4
Literature count
248
Patent count
20206
Formula
C10H14N2
Mass
162.11569 Da

Rivanicline

2D structure of Rivanicline
[M+H]+
135.80 Ų
Annotation hits
4
Literature count
50
Patent count
1905
Formula
C10H14N2
Mass
162.11569 Da

2-butanone, phenylhydrazone

2D structure of 2-butanone, phenylhydrazone
[M+H]+
135.60 Ų
Annotation hits
3
Literature count
0
Patent count
29
Formula
C10H14N2
Mass
162.11569 Da

(p-ammoniophenyl)ethyl(2-hydroxyethyl)ammonium sulphate

2D structure of (p-ammoniophenyl)ethyl(2-hydroxyethyl)ammonium sulphate
[M+H-H2O]+
133.30 Ų
Annotation hits
2
Literature count
1
Patent count
36
Formula
C10H16N2O
Mass
180.12627 Da

2-(4-amino-n-ethylanilino)ethanol

2D structure of 2-(4-amino-n-ethylanilino)ethanol
[M+H-H2O]+
133.90 Ų
Annotation hits
2
Literature count
0
Patent count
8085
Formula
C10H16N2O
Mass
180.12627 Da

1-ethyl-1,2,3,4-tetrahydroquinoxaline

2D structure of 1-ethyl-1,2,3,4-tetrahydroquinoxaline
[M+H]+
135.60 Ų
Annotation hits
2
Literature count
0
Patent count
36
Formula
C10H14N2
Mass
162.11569 Da

Trimethyl-2-propenylpyrazine

2D structure of Trimethyl-2-propenylpyrazine
[M+H]+
134.80 Ų
Annotation hits
2
Literature count
0
Patent count
14
Formula
C10H14N2
Mass
162.11569 Da

N,n-dimethyl-n'-(2-methylphenyl)methanimidamide

2D structure of N,n-dimethyl-n'-(2-methylphenyl)methanimidamide
[M+H]+
134.80 Ų
Annotation hits
2
Literature count
0
Patent count
8
Formula
C10H14N2
Mass
162.11569 Da

2-phenylpiperazine

2D structure of 2-phenylpiperazine
[M+H]+
136.50 Ų
Annotation hits
1
Literature count
6
Patent count
1607
Formula
C10H14N2
Mass
162.11569 Da

2767-90-0

2D structure of 2767-90-0
[M+H]+
135.40 Ų
Annotation hits
1
Literature count
6
Patent count
1463
Formula
C10H14N2
Mass
162.11569 Da

2-(pyrrolidin-1-yl)aniline

2D structure of 2-(pyrrolidin-1-yl)aniline
[M+H]+
134.60 Ų
Annotation hits
1
Literature count
4
Patent count
279
Formula
C10H14N2
Mass
162.11569 Da

216670-47-2

2D structure of 216670-47-2
[M+H]+
134.60 Ų
Annotation hits
1
Literature count
2
Patent count
2904
Formula
C10H14N2
Mass
162.11569 Da

1,2,3,4,5,6-hexahydro-[4,4']bipyridinyl

2D structure of 1,2,3,4,5,6-hexahydro-[4,4']bipyridinyl
[M+H]+
136.00 Ų
Annotation hits
1
Literature count
2
Patent count
804
Formula
C10H14N2
Mass
162.11569 Da

140845-50-7

2D structure of 140845-50-7
[M+H]+
134.30 Ų
Annotation hits
1
Literature count
2
Patent count
75
Formula
C10H14N2
Mass
162.11569 Da

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

2D structure of 2-(2,3-dihydro-1h-indol-1-yl)ethan-1-amine
[M+H]+
134.40 Ų
Annotation hits
1
Literature count
2
Patent count
45
Formula
C10H14N2
Mass
162.11569 Da

5,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine

2D structure of 5,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine
[M+H]+
135.80 Ų
Annotation hits
1
Literature count
2
Patent count
15
Formula
C10H14N2
Mass
162.11569 Da

5,7-dimethyl-6-oxo-1,3-diazaadamantane hydrochloride

2D structure of 5,7-dimethyl-6-oxo-1,3-diazaadamantane hydrochloride
[M+H-H2O]+
135.10 Ų
Annotation hits
1
Literature count
2
Patent count
3
Formula
C10H16N2O
Mass
180.12627 Da

2-piperidinopyridine

2D structure of 2-piperidinopyridine
[M+H]+
135.40 Ų
Annotation hits
1
Literature count
1
Patent count
1311
Formula
C10H14N2
Mass
162.11569 Da

13078-91-6

2D structure of 13078-91-6
[M+H]+
134.60 Ų
Annotation hits
1
Literature count
1
Patent count
39
Formula
C10H14N2
Mass
162.11569 Da

(1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine dihy...

2D structure of (1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine dihydrochloride
[M+H]+
134.30 Ų
Annotation hits
1
Literature count
1
Patent count
29
Formula
C10H14N2
Mass
162.11569 Da

2168-14-1

2D structure of 2168-14-1
[M+H-H2O]+
133.50 Ų
Annotation hits
1
Literature count
1
Patent count
6
Formula
C10H16N2O
Mass
180.12627 Da

2770368-53-9

2D structure of 2770368-53-9
[M+H]+
134.00 Ų
Annotation hits
1
Literature count
1
Patent count
5
Formula
C10H14N2
Mass
162.11569 Da

23950-04-1

2D structure of 23950-04-1
[M+H]+
135.10 Ų
Annotation hits
1
Literature count
0
Patent count
1244
Formula
C10H14N2
Mass
162.11569 Da

62345-76-0

2D structure of 62345-76-0
[M+H-H2O]+
133.30 Ų
Annotation hits
1
Literature count
0
Patent count
758
Formula
C10H16N2O
Mass
180.12627 Da

115833-93-7

2D structure of 115833-93-7
[M+H]+
134.60 Ų
Annotation hits
1
Literature count
0
Patent count
649
Formula
C10H14N2
Mass
162.11569 Da

2-(piperidin-4-yl)pyridine

2D structure of 2-(piperidin-4-yl)pyridine
[M+H]+
136.00 Ų
Annotation hits
1
Literature count
0
Patent count
547
Formula
C10H14N2
Mass
162.11569 Da