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

2
Annotation Hits: 0
References: 165
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]+	174.09134	133.5
[M+Na]+	196.07328	143.8
[M-H]-	172.07678	137.3
[M+NH4]+	191.11788	154.1
[M+K]+	212.04722	140.4
[M+H-H2O]+	156.08132	127.0
[M+HCOO]-	218.08226	156.5
[M+CH3COO]-	232.09791	180.9
[M+Na-2H]-	194.05873	142.7
[M]+	173.08351	135.0
[M]-	173.08461	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe