CID 56604119

Methyl 5,6-dihydroxypicolinate

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC(=O)C1=CC=C(C(=O)N1)O
InChI
InChI=1S/C7H7NO4/c1-12-7(11)4-2-3-5(9)6(10)8-4/h2-3,9H,1H3,(H,8,10)
InChIKey
GXTJQHPJCIORNI-UHFFFAOYSA-N
Compound name
methyl 5-hydroxy-6-oxo-1H-pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.0375 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 129.9
[M+Na]+ 192.026718 139.4
[M-H]- 168.030224 130.4
[M+NH4]+ 187.071323 148.0
[M+K]+ 208.000658 137.5
[M+H-H2O]+ 152.034760 124.3
[M+HCOO]- 214.035701 151.2
[M+CH3COO]- 228.051351 171.9
[M+Na-2H]- 190.012166 135.7
[M]+ 169.03695142 130.3
[M]- 169.03804858 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

No literature data available for this compound.

Patent stripe

patents stripe