CID 13548099

39684-37-2

Structural Information

Molecular Formula
C7H5NO3
SMILES
C1=CC(=CN=C1)C(=O)C(=O)O
InChI
InChI=1S/C7H5NO3/c9-6(7(10)11)5-2-1-3-8-4-5/h1-4H,(H,10,11)
InChIKey
JVSRKIHKRQXLHU-UHFFFAOYSA-N
Compound name
2-oxo-2-pyridin-3-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

151.02695 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03423 128.3
[M+Na]+ 174.01617 139.8
[M+NH4]+ 169.06077 135.1
[M+K]+ 189.99011 135.8
[M-H]- 150.01967 127.9
[M+Na-2H]- 172.00162 134.2
[M]+ 151.02640 129.5
[M]- 151.02750 129.5
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