CID 83680864

2-chloro-6-cyclohexylpyridine-3-carboxylic acid

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

C1CCC(CC1)C2=NC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C12H14ClNO2/c13-11-9(12(15)16)6-7-10(14-11)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)

InChIKey

ZFFGKWPGQADSHX-UHFFFAOYSA-N

Compound name

2-chloro-6-cyclohexylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.0713 Da
Monoisotopic Mass: 3.5
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]+	240.078576	151.1
[M+Na]+	262.060518	157.6
[M-H]-	238.064024	154.4
[M+NH4]+	257.105123	167.2
[M+K]+	278.034458	153.0
[M+H-H2O]+	222.068560	144.4
[M+HCOO]-	284.069501	164.0
[M+CH3COO]-	298.085151	187.2
[M+Na-2H]-	260.045966	153.7
[M]+	239.07075142	148.2
[M]-	239.07184858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.