CID 565316

2-(2-oxo-1,2-dihydropyridin-1-yl)acetic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=CC(=O)N(C=C1)CC(=O)O
InChI
InChI=1S/C7H7NO3/c9-6-3-1-2-4-8(6)5-7(10)11/h1-4H,5H2,(H,10,11)
InChIKey
VMONVJKJUDZYIE-UHFFFAOYSA-N
Compound name
2-(2-oxo-1-pyridinyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

108
Patents

153.04259 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 126.5
[M+Na]+ 176.031808 135.6
[M-H]- 152.035314 128.0
[M+NH4]+ 171.076413 145.7
[M+K]+ 192.005748 133.9
[M+H-H2O]+ 136.039850 120.6
[M+HCOO]- 198.040791 149.1
[M+CH3COO]- 212.056441 171.6
[M+Na-2H]- 174.017256 133.5
[M]+ 153.04204142 127.1
[M]- 153.04313858 127.1
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