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]+ 213.13863 152.6
[M+Na]+ 235.12057 161.1
[M-H]- 211.12407 157.2
[M+NH4]+ 230.16517 168.0
[M+K]+ 251.09451 145.6
[M+H-H2O]+ 195.12861 149.4
[M+HCOO]- 257.12955 173.5
[M+CH3COO]- 271.14520 176.1
[M+Na-2H]- 233.10602 163.4
[M]+ 212.13080 150.2
[M]- 212.13190 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