CID 61237987

2803861-11-0

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

30
Patents

167.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 133.5
[M+Na]+ 190.047458 140.8
[M-H]- 166.050964 133.3
[M+NH4]+ 185.092063 151.1
[M+K]+ 206.021398 139.1
[M+H-H2O]+ 150.055500 128.0
[M+HCOO]- 212.056441 152.4
[M+CH3COO]- 226.072091 172.1
[M+Na-2H]- 188.032906 140.8
[M]+ 167.05769142 132.3
[M]- 167.05878858 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

patents stripe