CID 82381

1-allylpyridinium bromide

Structural Information

Molecular Formula

C₈H₁₀N

SMILES

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

InChI

InChI=1S/C8H10N/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2/q+1

InChIKey

FOMKLSHJVADQBT-UHFFFAOYSA-N

Compound name

1-prop-2-enylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 13953
Patents: 120.08132 Da
Monoisotopic Mass: 1.7
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]+	121.08860	121.5
[M+Na]+	143.07054	137.7
[M+NH4]+	138.11514	132.1
[M+K]+	159.04448	130.6
[M-H]-	119.07404	125.8
[M+Na-2H]-	141.05599	131.3
[M]+	120.08077	125.5
[M]-	120.08187	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe