CID 37452

36437-30-6

Structural Information

Molecular Formula
C26H42N2
SMILES
CCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCC
InChI
InChI=1S/C26H42N2/c1-3-5-7-9-11-13-19-27-21-15-25(16-22-27)26-17-23-28(24-18-26)20-14-12-10-8-6-4-2/h15-18,21-24H,3-14,19-20H2,1-2H3/q+2
InChIKey
XJBZQYZBUDQHEW-UHFFFAOYSA-N
Compound name
1-octyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

677
Patents

382.3348 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.34208 209.4
[M+Na]+ 405.32402 212.1
[M-H]- 381.32752 211.5
[M+NH4]+ 400.36862 217.8
[M+K]+ 421.29796 194.3
[M+H-H2O]+ 365.33206 203.2
[M+HCOO]- 427.33300 225.8
[M+CH3COO]- 441.34865 213.2
[M+Na-2H]- 403.30947 213.5
[M]+ 382.33425 211.7
[M]- 382.33535 211.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe