CID 45117821

2-chloro-5-hydroxy-6-methyl-3,4-pyridinedicarboxylic acid

Structural Information

Molecular Formula
C8H6ClNO5
SMILES
CC1=C(C(=C(C(=N1)Cl)C(=O)O)C(=O)O)O
InChI
InChI=1S/C8H6ClNO5/c1-2-5(11)3(7(12)13)4(8(14)15)6(9)10-2/h11H,1H3,(H,12,13)(H,14,15)
InChIKey
VNBIPGLCXRTPIF-UHFFFAOYSA-N
Compound name
2-chloro-5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.99345 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00073 143.3
[M+Na]+ 253.98267 154.9
[M+NH4]+ 249.02727 148.4
[M+K]+ 269.95661 152.4
[M-H]- 229.98617 141.1
[M+Na-2H]- 251.96812 146.1
[M]+ 230.99290 144.2
[M]- 230.99400 144.2
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

No patent data available for this compound.