CID 203362

1-[4-(pyridin-1-ium-1-yl)butyl]pyridin-1-ium dibromide

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

C1=CC=[N+](C=C1)CCCC[N+]2=CC=CC=C2

InChI

InChI=1S/C14H18N2/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2/q+2

InChIKey

MAEVORUJDMVVKA-UHFFFAOYSA-N

Compound name

1-(4-pyridin-1-ium-1-ylbutyl)pyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 35
Patents: 214.147 Da
Monoisotopic Mass: 2.3
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]+	215.15428	147.6
[M+Na]+	237.13622	167.1
[M+NH4]+	232.18082	158.9
[M+K]+	253.11016	159.0
[M-H]-	213.13972	155.5
[M+Na-2H]-	235.12167	160.5
[M]+	214.14645	153.6
[M]-	214.14755	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe