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
1
Annotation Hits

0
References

158
Patents

153.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 128.9
[M+Na]+ 176.03181 136.0
[M-H]- 152.03531 128.7
[M+NH4]+ 171.07641 146.9
[M+K]+ 192.00575 134.6
[M+H-H2O]+ 136.03985 123.0
[M+HCOO]- 198.04079 148.7
[M+CH3COO]- 212.05644 169.6
[M+Na-2H]- 174.01726 134.8
[M]+ 153.04204 127.2
[M]- 153.04314 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