CID 445021

4-(aminomethyl)cyclohexylamine

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

C1CC(CCC1CN)N

InChI

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

InChIKey

RRCZRUXYTNNVBQ-UHFFFAOYSA-N

Compound name

4-(aminomethyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 218
Patents: 128.13135 Da
Monoisotopic Mass: -0.1
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	128.5
[M+Na]+	151.12057	132.9
[M-H]-	127.12407	130.5
[M+NH4]+	146.16517	149.5
[M+K]+	167.09451	131.4
[M+H-H2O]+	111.12861	122.9
[M+HCOO]-	173.12955	150.1
[M+CH3COO]-	187.14520	175.9
[M+Na-2H]-	149.10602	132.5
[M]+	128.13080	120.2
[M]-	128.13190	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe