CID 82423

1-acetyl-1,2-dihydroquinoline

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CC(=O)N1CC=CC2=CC=CC=C21

InChI

InChI=1S/C11H11NO/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12/h2-7H,8H2,1H3

InChIKey

VGEPKKUTRKZFEW-UHFFFAOYSA-N

Compound name

1-(2H-quinolin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 173.08406 Da
Monoisotopic Mass: 1.6
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	136.1
[M+Na]+	196.07328	150.2
[M+NH4]+	191.11788	145.6
[M+K]+	212.04722	142.9
[M-H]-	172.07678	138.8
[M+Na-2H]-	194.05873	143.5
[M]+	173.08351	138.9
[M]-	173.08461	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe