CID 23290791

1354427-12-5

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

C1CC(CC1CN)CN

InChI

InChI=1S/C7H16N2/c8-4-6-1-2-7(3-6)5-9/h6-7H,1-5,8-9H2

InChIKey

HTALOEFRFXMCFB-UHFFFAOYSA-N

Compound name

[3-(aminomethyl)cyclopentyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 128.13135 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	129.138626	128.6
[M+Na]+	151.120568	133.8
[M-H]-	127.124074	130.8
[M+NH4]+	146.165173	151.3
[M+K]+	167.094508	132.3
[M+H-H2O]+	111.128610	122.9
[M+HCOO]-	173.129551	152.3
[M+CH3COO]-	187.145201	175.6
[M+Na-2H]-	149.106016	131.4
[M]+	128.13080142	122.3
[M]-	128.13189858	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe