CID 13548099

Oxo(3-pyridinyl)acetic acid

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

41
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 126.8
[M+Na]+ 174.01617 134.6
[M-H]- 150.01967 128.0
[M+NH4]+ 169.06077 145.5
[M+K]+ 189.99011 133.5
[M+H-H2O]+ 134.02421 120.7
[M+HCOO]- 196.02515 148.3
[M+CH3COO]- 210.04080 171.3
[M+Na-2H]- 172.00162 133.2
[M]+ 151.02640 126.2
[M]- 151.02750 126.2
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