CID 121618

2-quinolinol, 2-acetate

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

CC(=O)OC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C11H9NO2/c1-8(13)14-11-7-6-9-4-2-3-5-10(9)12-11/h2-7H,1H3

InChIKey

CNNBEXYIRHCJBH-UHFFFAOYSA-N

Compound name

quinolin-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 187.06332 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]+	188.07060	137.7
[M+Na]+	210.05254	152.3
[M+NH4]+	205.09714	146.7
[M+K]+	226.02648	145.4
[M-H]-	186.05604	140.1
[M+Na-2H]-	208.03799	145.6
[M]+	187.06277	140.5
[M]-	187.06387	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe