CID 136239766

52600-50-7

Structural Information

Molecular Formula
C9H8N2O4
SMILES
CCOC(=O)C1=C(NC(=O)C(=C1)C#N)O
InChI
InChI=1S/C9H8N2O4/c1-2-15-9(14)6-3-5(4-10)7(12)11-8(6)13/h3H,2H2,1H3,(H2,11,12,13)
InChIKey
WROOHCUBANRTRZ-UHFFFAOYSA-N
Compound name
ethyl 5-cyano-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

208.0484 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05568 142.4
[M+Na]+ 231.03762 153.1
[M+NH4]+ 226.08222 144.5
[M+K]+ 247.01156 146.4
[M-H]- 207.04112 134.1
[M+Na-2H]- 229.02307 143.8
[M]+ 208.04785 140.4
[M]- 208.04895 140.4
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