CID 69447

634-35-5

Structural Information

Molecular Formula

C₁₁H₁₂N

SMILES

CC[N+]1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C11H12N/c1-2-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3/q+1

InChIKey

CBMDQVNFHVUOIB-UHFFFAOYSA-N

Compound name

1-ethylquinolin-1-ium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 993
Patents: 158.09697 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]+	159.10425	132.9
[M+Na]+	181.08619	141.8
[M-H]-	157.08969	136.6
[M+NH4]+	176.13079	153.5
[M+K]+	197.06013	133.2
[M+H-H2O]+	141.09423	129.1
[M+HCOO]-	203.09517	155.2
[M+CH3COO]-	217.11082	172.2
[M+Na-2H]-	179.07164	144.8
[M]+	158.09642	132.0
[M]-	158.09752	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe