CID 12326192

Ethyl 3-hydroxyisonicotinate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

167.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.4
[M+Na]+ 190.04746 140.8
[M-H]- 166.05096 133.7
[M+NH4]+ 185.09206 151.1
[M+K]+ 206.02140 139.6
[M+H-H2O]+ 150.05550 126.2
[M+HCOO]- 212.05644 154.4
[M+CH3COO]- 226.07209 174.8
[M+Na-2H]- 188.03291 138.8
[M]+ 167.05769 133.9
[M]- 167.05879 133.9
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