CID 61237987

Sodium2-hydroxy-2-(pyridin-3-yl)propanoate

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC(C1=CN=CC=C1)(C(=O)O)O
InChI
InChI=1S/C8H9NO3/c1-8(12,7(10)11)6-3-2-4-9-5-6/h2-5,12H,1H3,(H,10,11)
InChIKey
FGQVMEMROBCJMD-UHFFFAOYSA-N
Compound name
2-hydroxy-2-pyridin-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

167.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.5
[M+Na]+ 190.04746 140.8
[M-H]- 166.05096 133.3
[M+NH4]+ 185.09206 151.1
[M+K]+ 206.02140 139.1
[M+H-H2O]+ 150.05550 128.0
[M+HCOO]- 212.05644 152.4
[M+CH3COO]- 226.07209 172.1
[M+Na-2H]- 188.03291 140.8
[M]+ 167.05769 132.3
[M]- 167.05879 132.3
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

No patent data available for this compound.