CID 70158

882-35-9

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

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

InChI

InChI=1S/C12H14N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+2

InChIKey

AQXSSJVLMRLLQD-UHFFFAOYSA-N

Compound name

1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 75
Patents: 186.11569 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]+	187.12297	144.7
[M+Na]+	209.10491	151.8
[M-H]-	185.10841	148.9
[M+NH4]+	204.14951	160.6
[M+K]+	225.07885	137.5
[M+H-H2O]+	169.11295	141.4
[M+HCOO]-	231.11389	166.1
[M+CH3COO]-	245.12954	170.1
[M+Na-2H]-	207.09036	157.9
[M]+	186.11514	141.7
[M]-	186.11624	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe