CID 13672728

49769-60-0

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=CC(=CN=C1)C(C(=O)O)O
InChI
InChI=1S/C7H7NO3/c9-6(7(10)11)5-2-1-3-8-4-5/h1-4,6,9H,(H,10,11)
InChIKey
CEJOQRNGUDYAKK-UHFFFAOYSA-N
Compound name
2-hydroxy-2-pyridin-3-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

179
Patents

153.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 128.9
[M+Na]+ 176.031808 136.0
[M-H]- 152.035314 128.7
[M+NH4]+ 171.076413 146.9
[M+K]+ 192.005748 134.6
[M+H-H2O]+ 136.039850 123.0
[M+HCOO]- 198.040791 148.7
[M+CH3COO]- 212.056441 169.6
[M+Na-2H]- 174.017256 134.8
[M]+ 153.04204142 127.2
[M]- 153.04313858 127.2
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