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: 99
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]+	129.13863	128.3
[M+Na]+	151.12057	136.0
[M+NH4]+	146.16517	137.0
[M+K]+	167.09451	132.5
[M-H]-	127.12407	130.6
[M+Na-2H]-	149.10602	132.1
[M]+	128.13080	129.6
[M]-	128.13190	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe