CID 413583

2-hydroxy-3-(pyridin-2-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC=NC(=C1)CC(C(=O)O)O
InChI
InChI=1S/C8H9NO3/c10-7(8(11)12)5-6-3-1-2-4-9-6/h1-4,7,10H,5H2,(H,11,12)
InChIKey
RAOAWTKYEHBLHT-UHFFFAOYSA-N
Compound name
2-hydroxy-3-pyridin-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

167.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 133.6
[M+Na]+ 190.047458 140.2
[M-H]- 166.050964 133.1
[M+NH4]+ 185.092063 151.0
[M+K]+ 206.021398 138.5
[M+H-H2O]+ 150.055500 127.4
[M+HCOO]- 212.056441 153.0
[M+CH3COO]- 226.072091 172.7
[M+Na-2H]- 188.032906 138.9
[M]+ 167.05769142 132.2
[M]- 167.05878858 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

literature stripe

Patent stripe

patents stripe