CID 82423

10174-55-7

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: 75
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]+	174.091336	135.3
[M+Na]+	196.073278	143.3
[M-H]-	172.076784	138.4
[M+NH4]+	191.117883	155.4
[M+K]+	212.047218	140.6
[M+H-H2O]+	156.081320	128.7
[M+HCOO]-	218.082261	155.9
[M+CH3COO]-	232.097911	180.2
[M+Na-2H]-	194.058726	142.9
[M]+	173.08351142	134.2
[M]-	173.08460858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe