CID 593645

1-methyl-2-(2-pyridyl)pyridinium iodide

Structural Information

Molecular Formula

C₁₁H₁₁N₂

SMILES

C[N+]1=CC=CC=C1C2=CC=CC=N2

InChI

InChI=1S/C11H11N2/c1-13-9-5-3-7-11(13)10-6-2-4-8-12-10/h2-9H,1H3/q+1

InChIKey

JXBCKGDMEUICJN-UHFFFAOYSA-N

Compound name

1-methyl-2-pyridin-2-ylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
Patents: 171.09222 Da
Monoisotopic Mass: 1.6
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]+	172.09950	133.8
[M+Na]+	194.08144	152.4
[M+NH4]+	189.12604	144.5
[M+K]+	210.05538	144.6
[M-H]-	170.08494	140.1
[M+Na-2H]-	192.06689	146.4
[M]+	171.09167	138.8
[M]-	171.09277	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe