CID 155788

3-pyridinecarboxylic acid, 5-cyclohexyl-

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CCC(CC1)C2=CC(=CN=C2)C(=O)O

InChI

InChI=1S/C12H15NO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15)

InChIKey

IQJGHWJNMWQFDC-UHFFFAOYSA-N

Compound name

5-cyclohexylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.11028 Da
Monoisotopic Mass: 2.9
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]+	206.11756	145.6
[M+Na]+	228.09950	150.4
[M-H]-	204.10300	148.8
[M+NH4]+	223.14410	161.9
[M+K]+	244.07344	147.5
[M+H-H2O]+	188.10754	138.0
[M+HCOO]-	250.10848	163.1
[M+CH3COO]-	264.12413	182.3
[M+Na-2H]-	226.08495	149.4
[M]+	205.10973	140.2
[M]-	205.11083	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe