CID 6484125

120003-75-0

Structural Information

Molecular Formula

C₈H₈ClNO₂

SMILES

CC1=CC(=C(N=C1C)Cl)C(=O)O

InChI

InChI=1S/C8H8ClNO2/c1-4-3-6(8(11)12)7(9)10-5(4)2/h3H,1-2H3,(H,11,12)

InChIKey

JGTHNXDWSRAIAT-UHFFFAOYSA-N

Compound name

2-chloro-5,6-dimethylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 26
Patents: 185.02435 Da
Monoisotopic Mass: 2.1
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]+	186.03163	134.6
[M+Na]+	208.01357	148.8
[M+NH4]+	203.05817	142.6
[M+K]+	223.98751	143.0
[M-H]-	184.01707	135.4
[M+Na-2H]-	205.99902	140.7
[M]+	185.02380	137.1
[M]-	185.02490	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe