CID 2063663

13119-76-1

Structural Information

Molecular Formula
C14H13NO3
SMILES
CCOC(=O)C(=O)CC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H13NO3/c1-2-18-14(17)13(16)9-11-8-7-10-5-3-4-6-12(10)15-11/h3-8H,2,9H2,1H3
InChIKey
ORRFCFGNBCDGIS-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-3-quinolin-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08954 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 153.3
[M+Na]+ 266.07876 166.5
[M+NH4]+ 261.12336 160.8
[M+K]+ 282.05270 160.1
[M-H]- 242.08226 154.6
[M+Na-2H]- 264.06421 159.5
[M]+ 243.08899 155.4
[M]- 243.09009 155.4
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

No patent data available for this compound.