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

31
Patents

169.0375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 129.1
[M+Na]+ 192.02672 139.4
[M-H]- 168.03022 129.9
[M+NH4]+ 187.07132 147.3
[M+K]+ 208.00066 137.5
[M+H-H2O]+ 152.03476 123.6
[M+HCOO]- 214.03570 150.2
[M+CH3COO]- 228.05135 173.8
[M+Na-2H]- 190.01217 134.1
[M]+ 169.03695 129.9
[M]- 169.03805 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