CID 13216306

87762-51-4

Structural Information

Molecular Formula
C9H9NO5
SMILES
CCOC(=O)C1=CC=C(C(=O)N1)C(=O)O
InChI
InChI=1S/C9H9NO5/c1-2-15-9(14)6-4-3-5(8(12)13)7(11)10-6/h3-4H,2H2,1H3,(H,10,11)(H,12,13)
InChIKey
XMPZWZXXZKTUMA-UHFFFAOYSA-N
Compound name
6-ethoxycarbonyl-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04807 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 142.7
[M+Na]+ 234.03729 153.1
[M+NH4]+ 229.08189 147.4
[M+K]+ 250.01123 150.4
[M-H]- 210.04079 140.5
[M+Na-2H]- 232.02274 145.9
[M]+ 211.04752 143.0
[M]- 211.04862 143.0
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

No patent data available for this compound.