CID 288086

3-(2-oxo-1,2-dihydropyridin-1-yl)propanoic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=O)N(C=C1)CCC(=O)O
InChI
InChI=1S/C8H9NO3/c10-7-3-1-2-5-9(7)6-4-8(11)12/h1-3,5H,4,6H2,(H,11,12)
InChIKey
FGXRKDZZPDMPAQ-UHFFFAOYSA-N
Compound name
3-(2-oxopyridin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

167.05824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.2
[M+Na]+ 190.04746 139.8
[M-H]- 166.05096 132.5
[M+NH4]+ 185.09206 149.7
[M+K]+ 206.02140 137.9
[M+H-H2O]+ 150.05550 125.0
[M+HCOO]- 212.05644 153.4
[M+CH3COO]- 226.07209 174.7
[M+Na-2H]- 188.03291 137.6
[M]+ 167.05769 132.1
[M]- 167.05879 132.1
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