CID 18337072

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

Structural Information

Molecular Formula
C12H11NO3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)CCC(=O)O
InChI
InChI=1S/C12H11NO3/c14-11(15)6-5-9-7-8-3-1-2-4-10(8)13-12(9)16/h1-4,7H,5-6H2,(H,13,16)(H,14,15)
InChIKey
MAJKZLDETGGBOT-UHFFFAOYSA-N
Compound name
3-(2-oxo-1H-quinolin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

217.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 145.7
[M+Na]+ 240.06312 158.8
[M+NH4]+ 235.10772 152.8
[M+K]+ 256.03706 152.9
[M-H]- 216.06662 146.2
[M+Na-2H]- 238.04857 151.1
[M]+ 217.07335 147.5
[M]- 217.07445 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe