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: 276
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]+	129.13863	128.2
[M+Na]+	151.12057	136.8
[M+NH4]+	146.16517	138.7
[M+K]+	167.09451	129.4
[M-H]-	127.12407	131.3
[M+Na-2H]-	149.10602	134.8
[M]+	128.13080	130.1
[M]-	128.13190	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe