CID 16781318

928648-57-1

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

C1CCC(CC1)OC2=NC=C(C=C2)CN

InChI

InChI=1S/C12H18N2O/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h6-7,9,11H,1-5,8,13H2

InChIKey

KBEXCOQBYDIUNO-UHFFFAOYSA-N

Compound name

(6-cyclohexyloxypyridin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 206.1419 Da
Monoisotopic Mass: 1.8
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]+	207.14918	146.9
[M+Na]+	229.13112	151.4
[M-H]-	205.13462	150.8
[M+NH4]+	224.17572	163.5
[M+K]+	245.10506	148.5
[M+H-H2O]+	189.13916	138.7
[M+HCOO]-	251.14010	167.0
[M+CH3COO]-	265.15575	187.0
[M+Na-2H]-	227.11657	151.8
[M]+	206.14135	141.6
[M]-	206.14245	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe