CID 84807

Allylquinaldinium bromide

Structural Information

Molecular Formula

C₁₃H₁₄N

SMILES

CC1=[N+](C2=CC=CC=C2C=C1)CC=C

InChI

InChI=1S/C13H14N/c1-3-10-14-11(2)8-9-12-6-4-5-7-13(12)14/h3-9H,1,10H2,2H3/q+1

InChIKey

WAANCHAWBDOMDG-UHFFFAOYSA-N

Compound name

2-methyl-1-prop-2-enylquinolin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 184.11263 Da
Monoisotopic Mass: 3.5
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]+	185.11991	138.1
[M+Na]+	207.10185	156.1
[M+NH4]+	202.14645	149.2
[M+K]+	223.07579	147.5
[M-H]-	183.10535	143.5
[M+Na-2H]-	205.08730	147.7
[M]+	184.11208	142.8
[M]-	184.11318	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe