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

24
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 130.2
[M+Na]+ 192.02672 140.1
[M-H]- 168.03022 129.6
[M+NH4]+ 187.07132 147.7
[M+K]+ 208.00066 137.3
[M+H-H2O]+ 152.03476 125.0
[M+HCOO]- 214.03570 149.8
[M+CH3COO]- 228.05135 171.4
[M+Na-2H]- 190.01217 134.6
[M]+ 169.03695 129.2
[M]- 169.03805 129.2
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

patents stripe