CID 54696064

169237-37-0

Structural Information

Molecular Formula
C7H7NO4
SMILES
CN1C=CC(=C(C1=O)O)C(=O)O
InChI
InChI=1S/C7H7NO4/c1-8-3-2-4(7(11)12)5(9)6(8)10/h2-3,9H,1H3,(H,11,12)
InChIKey
AUTKTIRQKUQXTL-UHFFFAOYSA-N
Compound name
3-hydroxy-1-methyl-2-oxopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

169.0375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 129.1
[M+Na]+ 192.026718 139.4
[M-H]- 168.030224 129.9
[M+NH4]+ 187.071323 147.3
[M+K]+ 208.000658 137.5
[M+H-H2O]+ 152.034760 123.6
[M+HCOO]- 214.035701 150.2
[M+CH3COO]- 228.051351 173.8
[M+Na-2H]- 190.012166 134.1
[M]+ 169.03695142 129.9
[M]- 169.03804858 129.9
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