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

28
Patents

187.00362 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.010896 131.1
[M+Na]+ 209.992838 142.2
[M-H]- 185.996344 131.8
[M+NH4]+ 205.037443 149.6
[M+K]+ 225.966778 137.9
[M+H-H2O]+ 170.000880 126.8
[M+HCOO]- 232.001821 147.5
[M+CH3COO]- 246.017471 175.5
[M+Na-2H]- 207.978286 135.8
[M]+ 187.00307142 132.5
[M]- 187.00416858 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