CID 54715445

2,4-dihydroxy-6-methylnicotinic acid

Structural Information

Molecular Formula
C7H7NO4
SMILES
CC1=CC(=C(C(=O)N1)C(=O)O)O
InChI
InChI=1S/C7H7NO4/c1-3-2-4(9)5(7(11)12)6(10)8-3/h2H,1H3,(H,11,12)(H2,8,9,10)
InChIKey
AEZBEQWWMNSAGB-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

169.0375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 132.1
[M+Na]+ 192.02672 143.6
[M+NH4]+ 187.07132 137.8
[M+K]+ 208.00066 140.5
[M-H]- 168.03022 130.5
[M+Na-2H]- 190.01217 135.9
[M]+ 169.03695 132.9
[M]- 169.03805 132.9
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