CID 6182264

21279-07-2

Structural Information

Molecular Formula
C14H16N2
SMILES
C[N+]1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C
InChI
InChI=1S/C14H16N2/c1-15-9-5-13(6-10-15)3-4-14-7-11-16(2)12-8-14/h3-12H,1-2H3/q+2/b4-3+
InChIKey
XRIOCMZNEKUBEW-ONEGZZNKSA-N
Compound name
1-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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 152.6
[M+Na]+ 235.120568 161.1
[M-H]- 211.124074 157.2
[M+NH4]+ 230.165173 168.0
[M+K]+ 251.094508 145.6
[M+H-H2O]+ 195.128610 149.4
[M+HCOO]- 257.129551 173.5
[M+CH3COO]- 271.145201 176.1
[M+Na-2H]- 233.106016 163.4
[M]+ 212.13080142 150.2
[M]- 212.13189858 150.2
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

patents stripe