CID 12387729

6-chloro-5-methylnicotinic acid

Structural Information

Molecular Formula

C₇H₆ClNO₂

SMILES

CC1=CC(=CN=C1Cl)C(=O)O

InChI

InChI=1S/C7H6ClNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H,10,11)

InChIKey

MAOUFLRMKAFPTB-UHFFFAOYSA-N

Compound name

6-chloro-5-methylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 123
Patents: 171.00871 Da
Monoisotopic Mass: 1.7
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]+	172.01599	130.3
[M+Na]+	193.99793	144.2
[M+NH4]+	189.04253	138.4
[M+K]+	209.97187	138.5
[M-H]-	170.00143	131.0
[M+Na-2H]-	191.98338	136.9
[M]+	171.00816	132.7
[M]-	171.00926	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe