CID 345823

42389-50-4

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CN(C)C1CCC(CC1)N

InChI

InChI=1S/C8H18N2/c1-10(2)8-5-3-7(9)4-6-8/h7-8H,3-6,9H2,1-2H3

InChIKey

GNGZZWTXFNFCMU-UHFFFAOYSA-N

Compound name

4-N,4-N-dimethylcyclohexane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 786
Patents: 142.147 Da
Monoisotopic Mass: 0.7
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]+	143.15428	132.7
[M+Na]+	165.13622	141.8
[M+NH4]+	160.18082	142.0
[M+K]+	181.11016	136.2
[M-H]-	141.13972	136.3
[M+Na-2H]-	163.12167	137.9
[M]+	142.14645	134.7
[M]-	142.14755	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe