CID 21922

5700-53-8

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

C1CCC(CC1)NCCN

InChI

InChI=1S/C8H18N2/c9-6-7-10-8-4-2-1-3-5-8/h8,10H,1-7,9H2

InChIKey

FCZQPWVILDWRBN-UHFFFAOYSA-N

Compound name

N'-cyclohexylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 934
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]+	143.154276	132.4
[M+Na]+	165.136218	135.3
[M-H]-	141.139724	134.3
[M+NH4]+	160.180823	152.7
[M+K]+	181.110158	134.0
[M+H-H2O]+	125.144260	126.2
[M+HCOO]-	187.145201	154.3
[M+CH3COO]-	201.160851	178.5
[M+Na-2H]-	163.121666	137.7
[M]+	142.14645142	125.1
[M]-	142.14754858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe