CID 3034903

Pyridinium, 1,1'-(2-butene-1,4-diyl)bis-, dichloride

Structural Information

Molecular Formula
C14H16N2
SMILES
C1=CC=[N+](C=C1)CC=CC[N+]2=CC=CC=C2
InChI
InChI=1S/C14H16N2/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-12H,13-14H2/q+2
InChIKey
GWUUPPPSIZYHCM-UHFFFAOYSA-N
Compound name
1-(4-pyridin-1-ium-1-ylbut-2-enyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 153.5
[M+Na]+ 235.120568 160.1
[M-H]- 211.124074 157.3
[M+NH4]+ 230.165173 168.3
[M+K]+ 251.094508 144.7
[M+H-H2O]+ 195.128610 149.8
[M+HCOO]- 257.129551 174.3
[M+CH3COO]- 271.145201 174.2
[M+Na-2H]- 233.106016 165.5
[M]+ 212.13080142 150.4
[M]- 212.13189858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.