CID 19222

3612-80-4

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=CN=C1)C(=O)OCCO
InChI
InChI=1S/C8H9NO3/c10-4-5-12-8(11)7-2-1-3-9-6-7/h1-3,6,10H,4-5H2
InChIKey
OMMRNSLAFWRKOH-UHFFFAOYSA-N
Compound name
2-hydroxyethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

167.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.9
[M+Na]+ 190.047458 140.3
[M-H]- 166.050964 133.8
[M+NH4]+ 185.092063 151.2
[M+K]+ 206.021398 139.1
[M+H-H2O]+ 150.055500 126.4
[M+HCOO]- 212.056441 154.9
[M+CH3COO]- 226.072091 173.6
[M+Na-2H]- 188.032906 140.0
[M]+ 167.05769142 134.0
[M]- 167.05878858 134.0
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