CID 295861

Ethyl 6-hydroxynicotinate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

337
Patents

167.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.0
[M+Na]+ 190.04746 145.1
[M+NH4]+ 185.09206 139.8
[M+K]+ 206.02140 140.2
[M-H]- 166.05096 132.8
[M+Na-2H]- 188.03291 138.7
[M]+ 167.05769 134.4
[M]- 167.05879 134.4
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