CID 54704344

Methyl 4,6-dihydroxypyridine-3-carboxylate

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC(=O)C1=CNC(=O)C=C1O
InChI
InChI=1S/C7H7NO4/c1-12-7(11)4-3-8-6(10)2-5(4)9/h2-3H,1H3,(H2,8,9,10)
InChIKey
YRIXOKHFULWNHE-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

169.0375 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 129.9
[M+Na]+ 192.02672 139.4
[M-H]- 168.03022 130.4
[M+NH4]+ 187.07132 148.0
[M+K]+ 208.00066 137.5
[M+H-H2O]+ 152.03476 124.3
[M+HCOO]- 214.03570 151.2
[M+CH3COO]- 228.05135 171.9
[M+Na-2H]- 190.01217 135.7
[M]+ 169.03695 130.3
[M]- 169.03805 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe