CID 16227583

3-(2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)propanoic acid

Structural Information

Molecular Formula
C12H13NO3
SMILES
C1C(C(=O)NC2=CC=CC=C21)CCC(=O)O
InChI
InChI=1S/C12H13NO3/c14-11(15)6-5-9-7-8-3-1-2-4-10(8)13-12(9)16/h1-4,9H,5-7H2,(H,13,16)(H,14,15)
InChIKey
WSLCTTTURUNBEO-UHFFFAOYSA-N
Compound name
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 147.1
[M+Na]+ 242.07876 153.7
[M-H]- 218.08226 147.1
[M+NH4]+ 237.12336 163.7
[M+K]+ 258.05270 149.7
[M+H-H2O]+ 202.08680 140.7
[M+HCOO]- 264.08774 163.3
[M+CH3COO]- 278.10339 183.8
[M+Na-2H]- 240.06421 151.5
[M]+ 219.08899 143.9
[M]- 219.09009 143.9
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