CID 564962

Einecs 228-566-6

Structural Information

Molecular Formula

C₅H₆N₂

SMILES

C1=CC=[N+](C=C1)[NH-]

InChI

InChI=1S/C5H6N2/c6-7-4-2-1-3-5-7/h1-6H

InChIKey

LWBPCECUDKEKAD-UHFFFAOYSA-N

Compound name

pyridin-1-ium-1-ylazanide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 94.0531 Da
Monoisotopic Mass: -0.3
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]+	95.060376	112.8
[M+Na]+	117.04232	127.8
[M+NH4]+	112.08692	123.0
[M+K]+	133.01626	122.8
[M-H]-	93.045824	117.0
[M+Na-2H]-	115.02777	122.0
[M]+	94.052551	116.1
[M]-	94.053649	116.1

Literature stripe

literature stripe

Patent stripe

patents stripe