CID 2771376

13663-13-3

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CCC(CC1)NC2=CC=C(C=C2)N

InChI

InChI=1S/C12H18N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5,13H2

InChIKey

UZARQBVTRHEUOB-UHFFFAOYSA-N

Compound name

4-N-cyclohexylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 473
Patents: 190.147 Da
Monoisotopic Mass: 3.0
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]+	191.15428	142.2
[M+Na]+	213.13622	145.9
[M-H]-	189.13972	147.5
[M+NH4]+	208.18082	160.5
[M+K]+	229.11016	142.6
[M+H-H2O]+	173.14426	134.9
[M+HCOO]-	235.14520	164.4
[M+CH3COO]-	249.16085	187.3
[M+Na-2H]-	211.12167	147.4
[M]+	190.14645	134.3
[M]-	190.14755	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe