CID 96123

1-(cyclohexylamino)cyclohexanecarbonitrile

Structural Information

Molecular Formula

C₁₃H₂₂N₂

SMILES

C1CCC(CC1)NC2(CCCCC2)C#N

InChI

InChI=1S/C13H22N2/c14-11-13(9-5-2-6-10-13)15-12-7-3-1-4-8-12/h12,15H,1-10H2

InChIKey

OUAURGNVVSZCEB-UHFFFAOYSA-N

Compound name

1-(cyclohexylamino)cyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 206.1783 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]+	207.18558	149.7
[M+Na]+	229.16752	154.5
[M-H]-	205.17102	153.9
[M+NH4]+	224.21212	167.5
[M+K]+	245.14146	149.0
[M+H-H2O]+	189.17556	136.9
[M+HCOO]-	251.17650	164.0
[M+CH3COO]-	265.19215	198.5
[M+Na-2H]-	227.15297	153.6
[M]+	206.17775	135.6
[M]-	206.17885	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe