CID 791938

2-(cyclohexylaminomethyl)pyridine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CCC(CC1)NCC2=CC=CC=N2

InChI

InChI=1S/C12H18N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h4-5,8-9,11,14H,1-3,6-7,10H2

InChIKey

KUBDCHSZNMFKFV-UHFFFAOYSA-N

Compound name

N-(pyridin-2-ylmethyl)cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 190.147 Da
Monoisotopic Mass: 2.1
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]+	191.15428	143.0
[M+Na]+	213.13622	146.4
[M-H]-	189.13972	146.9
[M+NH4]+	208.18082	160.2
[M+K]+	229.11016	143.4
[M+H-H2O]+	173.14426	134.6
[M+HCOO]-	235.14520	163.4
[M+CH3COO]-	249.16085	184.5
[M+Na-2H]-	211.12167	149.6
[M]+	190.14645	136.8
[M]-	190.14755	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe