CID 1965293

3-ethynylquinoline

Structural Information

Molecular Formula

C₁₁H₇N

SMILES

C#CC1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C11H7N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9/h1,3-8H

InChIKey

ASBDHAOKWPWQMZ-UHFFFAOYSA-N

Compound name

3-ethynylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 276
Patents: 153.05785 Da
Monoisotopic Mass: 2.4
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]+	154.06513	132.5
[M+Na]+	176.04707	144.3
[M-H]-	152.05057	133.9
[M+NH4]+	171.09167	151.0
[M+K]+	192.02101	137.8
[M+H-H2O]+	136.05511	120.0
[M+HCOO]-	198.05605	149.2
[M+CH3COO]-	212.07170	144.6
[M+Na-2H]-	174.03252	140.7
[M]+	153.05730	126.6
[M]-	153.05840	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe