CID 58201196

5-chloro-4-hydroxy-6-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
CC1=C(C(=O)C(=CN1)C(=O)O)Cl
InChI
InChI=1S/C7H6ClNO3/c1-3-5(8)6(10)4(2-9-3)7(11)12/h2H,1H3,(H,9,10)(H,11,12)
InChIKey
IPVQQSUTDBVWSI-UHFFFAOYSA-N
Compound name
5-chloro-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

187.00362 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 131.1
[M+Na]+ 209.99284 142.2
[M-H]- 185.99634 131.8
[M+NH4]+ 205.03744 149.6
[M+K]+ 225.96678 137.9
[M+H-H2O]+ 170.00088 126.8
[M+HCOO]- 232.00182 147.5
[M+CH3COO]- 246.01747 175.5
[M+Na-2H]- 207.97829 135.8
[M]+ 187.00307 132.5
[M]- 187.00417 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe