CID 21150

5062-67-9

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

C1CCC(CC1)(CN)N

InChI

InChI=1S/C7H16N2/c8-6-7(9)4-2-1-3-5-7/h1-6,8-9H2

InChIKey

QCDMSCUTQSXHCU-UHFFFAOYSA-N

Compound name

1-(aminomethyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 277
Patents: 128.13135 Da
Monoisotopic Mass: 0.0
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	128.3
[M+Na]+	151.120568	132.7
[M-H]-	127.124074	130.3
[M+NH4]+	146.165173	151.0
[M+K]+	167.094508	131.4
[M+H-H2O]+	111.128610	123.3
[M+HCOO]-	173.129551	149.9
[M+CH3COO]-	187.145201	174.3
[M+Na-2H]-	149.106016	134.1
[M]+	128.13080142	119.9
[M]-	128.13189858	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe