CID 31506

5421-92-1

Structural Information

Molecular Formula

C₁₀H₉N₂

SMILES

C1=CC=[N+](C=C1)C2=CC=NC=C2

InChI

InChI=1S/C10H9N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h1-9H/q+1

InChIKey

IYYUWAULZBEIST-UHFFFAOYSA-N

Compound name

4-pyridin-1-ium-1-ylpyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 218
Patents: 157.07657 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]+	158.08385	132.3
[M+Na]+	180.06579	140.6
[M-H]-	156.06929	136.6
[M+NH4]+	175.11039	149.9
[M+K]+	196.03973	131.9
[M+H-H2O]+	140.07383	126.7
[M+HCOO]-	202.07477	155.1
[M+CH3COO]-	216.09042	169.2
[M+Na-2H]-	178.05124	145.0
[M]+	157.07602	129.8
[M]-	157.07712	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe