CID 565316

56546-36-2

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-oxopyridin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

86
Patents

153.04259 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 128.3
[M+Na]+ 176.03181 140.6
[M+NH4]+ 171.07641 135.3
[M+K]+ 192.00575 136.0
[M-H]- 152.03531 128.2
[M+Na-2H]- 174.01726 134.4
[M]+ 153.04204 129.8
[M]- 153.04314 129.8
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