CID 24703886

1016812-22-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1CCC(CC1)OC2=C(C=CC=N2)C#N

InChI

InChI=1S/C12H14N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2

InChIKey

VVMPGKGYTJRBCO-UHFFFAOYSA-N

Compound name

2-cyclohexyloxypyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.11061 Da
Monoisotopic Mass: 2.7
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]+	203.11789	143.5
[M+Na]+	225.09983	151.3
[M-H]-	201.10333	146.8
[M+NH4]+	220.14443	158.9
[M+K]+	241.07377	146.8
[M+H-H2O]+	185.10787	129.1
[M+HCOO]-	247.10881	159.8
[M+CH3COO]-	261.12446	195.9
[M+Na-2H]-	223.08528	148.6
[M]+	202.11006	135.0
[M]-	202.11116	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe