CID 15928258

Ethyl 4-hydroxypyridine-2-carboxylate

Structural Information

Molecular Formula
C8H9NO3
SMILES
CCOC(=O)C1=CC(=O)C=CN1
InChI
InChI=1S/C8H9NO3/c1-2-12-8(11)7-5-6(10)3-4-9-7/h3-5H,2H2,1H3,(H,9,10)
InChIKey
NXYYJUMPOIFBFP-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-1H-pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

167.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.5
[M+Na]+ 190.04746 140.1
[M-H]- 166.05096 132.8
[M+NH4]+ 185.09206 150.1
[M+K]+ 206.02140 138.3
[M+H-H2O]+ 150.05550 125.3
[M+HCOO]- 212.05644 153.7
[M+CH3COO]- 226.07209 174.0
[M+Na-2H]- 188.03291 137.9
[M]+ 167.05769 132.2
[M]- 167.05879 132.2
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