CID 257964

2-oxo-3-(quinolin-2-yl)propanoic acid

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CC(=O)C(=O)O
InChI
InChI=1S/C12H9NO3/c14-11(12(15)16)7-9-6-5-8-3-1-2-4-10(8)13-9/h1-6H,7H2,(H,15,16)
InChIKey
PBCZPMGLYKFSIF-UHFFFAOYSA-N
Compound name
2-oxo-3-quinolin-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 143.9
[M+Na]+ 238.04746 151.8
[M-H]- 214.05096 145.9
[M+NH4]+ 233.09206 161.2
[M+K]+ 254.02140 148.8
[M+H-H2O]+ 198.05550 137.1
[M+HCOO]- 260.05644 163.6
[M+CH3COO]- 274.07209 185.2
[M+Na-2H]- 236.03291 150.4
[M]+ 215.05769 144.4
[M]- 215.05879 144.4
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

No patent data available for this compound.