CID 3064185

101997-43-7

Structural Information

Molecular Formula
C13H20N2
SMILES
CN1CCCC(C1)C(C2=CC=CC=C2)N
InChI
InChI=1S/C13H20N2/c1-15-9-5-8-12(10-15)13(14)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,14H2,1H3
InChIKey
BINAJLITODPBLY-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl)-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.16264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 148.8
[M+Na]+ 227.151858 152.6
[M-H]- 203.155364 152.6
[M+NH4]+ 222.196463 165.5
[M+K]+ 243.125798 149.4
[M+H-H2O]+ 187.159900 140.7
[M+HCOO]- 249.160841 167.3
[M+CH3COO]- 263.176491 188.8
[M+Na-2H]- 225.137306 151.9
[M]+ 204.16209142 141.8
[M]- 204.16318858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.