CID 104395

Isoquinolinium, 2-(2-propenyl)-, bromide

Structural Information

Molecular Formula

C₁₂H₁₂N

SMILES

C=CC[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C12H12N/c1-2-8-13-9-7-11-5-3-4-6-12(11)10-13/h2-7,9-10H,1,8H2/q+1

InChIKey

KAPPLEXYONHRQZ-UHFFFAOYSA-N

Compound name

2-prop-2-enylisoquinolin-2-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1581
Patents: 170.09697 Da
Monoisotopic Mass: 2.1
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]+	171.10425	133.7
[M+Na]+	193.08619	151.5
[M+NH4]+	188.13079	145.0
[M+K]+	209.06013	143.0
[M-H]-	169.08969	139.0
[M+Na-2H]-	191.07164	143.8
[M]+	170.09642	138.3
[M]-	170.09752	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe