CID 203362

Dtxsid40931329

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: 38
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]+	215.154276	154.2
[M+Na]+	237.136218	160.4
[M-H]-	213.139724	157.9
[M+NH4]+	232.180823	168.9
[M+K]+	253.110158	145.6
[M+H-H2O]+	197.144260	150.4
[M+HCOO]-	259.145201	174.8
[M+CH3COO]-	273.160851	176.0
[M+Na-2H]-	235.121666	166.3
[M]+	214.14645142	151.8
[M]-	214.14754858	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe