CID 104603

53761-50-5

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CCN1C(=O)C=CC2=CC=CC=C21

InChI

InChI=1S/C11H11NO/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)13/h3-8H,2H2,1H3

InChIKey

JRXCUTAHLPYHAY-UHFFFAOYSA-N

Compound name

1-ethylquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 195
Patents: 173.08406 Da
Monoisotopic Mass: 1.8
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]+	174.091336	133.5
[M+Na]+	196.073278	143.8
[M-H]-	172.076784	137.3
[M+NH4]+	191.117883	154.1
[M+K]+	212.047218	140.4
[M+H-H2O]+	156.081320	127.0
[M+HCOO]-	218.082261	156.5
[M+CH3COO]-	232.097911	180.9
[M+Na-2H]-	194.058726	142.7
[M]+	173.08351142	135.0
[M]-	173.08460858	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe