CID 4610

1,2-cyclohexanediamine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CCC(C(C1)N)N

InChI

InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2

InChIKey

SSJXIUAHEKJCMH-UHFFFAOYSA-N

Compound name

cyclohexane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 5774
References: 71243
Patents: 114.1157 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]+	115.122976	124.1
[M+Na]+	137.104918	128.9
[M-H]-	113.108424	126.2
[M+NH4]+	132.149523	145.6
[M+K]+	153.078858	127.6
[M+H-H2O]+	97.112960	118.6
[M+HCOO]-	159.113901	146.0
[M+CH3COO]-	173.129551	172.8
[M+Na-2H]-	135.090366	128.6
[M]+	114.11515142	115.4
[M]-	114.11624858	115.4

Literature stripe

literature stripe

Patent stripe

patents stripe