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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.09682	153.1
[M+Na]+	266.07876	160.6
[M-H]-	242.08226	156.1
[M+NH4]+	261.12336	170.0
[M+K]+	282.05270	158.0
[M+H-H2O]+	226.08680	145.6
[M+HCOO]-	288.08774	173.6
[M+CH3COO]-	302.10339	193.0
[M+Na-2H]-	264.06421	158.9
[M]+	243.08899	156.0
[M]-	243.09009	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe