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]+ 213.13863 153.5
[M+Na]+ 235.12057 160.1
[M-H]- 211.12407 157.3
[M+NH4]+ 230.16517 168.3
[M+K]+ 251.09451 144.7
[M+H-H2O]+ 195.12861 149.8
[M+HCOO]- 257.12955 174.3
[M+CH3COO]- 271.14520 174.2
[M+Na-2H]- 233.10602 165.5
[M]+ 212.13080 150.4
[M]- 212.13190 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.