CID 2063663

Ethyl 2-oxo-3-(quinolin-2-yl)propanoate

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: 1
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]+	244.096816	153.1
[M+Na]+	266.078758	160.6
[M-H]-	242.082264	156.1
[M+NH4]+	261.123363	170.0
[M+K]+	282.052698	158.0
[M+H-H2O]+	226.086800	145.6
[M+HCOO]-	288.087741	173.6
[M+CH3COO]-	302.103391	193.0
[M+Na-2H]-	264.064206	158.9
[M]+	243.08899142	156.0
[M]-	243.09008858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe