CID 17842493

Cyclohexane-1,1-diamine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CCC(CC1)(N)N

InChI

InChI=1S/C6H14N2/c7-6(8)4-2-1-3-5-6/h1-5,7-8H2

InChIKey

YMHQVDAATAEZLO-UHFFFAOYSA-N

Compound name

cyclohexane-1,1-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 86
References: 39099
Patents: 114.1157 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]+	115.122976	123.9
[M+Na]+	137.104918	128.7
[M-H]-	113.108424	126.1
[M+NH4]+	132.149523	147.1
[M+K]+	153.078858	127.7
[M+H-H2O]+	97.112960	119.1
[M+HCOO]-	159.113901	145.8
[M+CH3COO]-	173.129551	171.2
[M+Na-2H]-	135.090366	130.2
[M]+	114.11515142	115.2
[M]-	114.11624858	115.2

Literature stripe

literature stripe

Patent stripe

patents stripe