CID 7047

Quinoline

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC=N2

InChI

InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H

InChIKey

SMWDFEZZVXVKRB-UHFFFAOYSA-N

Compound name

quinoline

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3799
References: 162002
Patents: 129.05785 Da
Monoisotopic Mass: 2.0
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]+	130.065126	121.7
[M+Na]+	152.047068	130.7
[M-H]-	128.050574	125.1
[M+NH4]+	147.091673	143.5
[M+K]+	168.021008	127.9
[M+H-H2O]+	112.055110	115.4
[M+HCOO]-	174.056051	145.0
[M+CH3COO]-	188.071701	136.3
[M+Na-2H]-	150.032516	133.6
[M]+	129.05730142	121.0
[M]-	129.05839858	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe