CID 3041341

53952-75-3

Structural Information

Molecular Formula
C16H22N2
SMILES
C1=CC=[N+](C=C1)CCCCCC[N+]2=CC=CC=C2
InChI
InChI=1S/C16H22N2/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-4,7-10,13-16H,1-2,5-6,11-12H2/q+2
InChIKey
WUAWIFPABARFIQ-UHFFFAOYSA-N
Compound name
1-(6-pyridin-1-ium-1-ylhexyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

242.1783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 163.6
[M+Na]+ 265.16752 168.9
[M-H]- 241.17102 166.9
[M+NH4]+ 260.21212 177.1
[M+K]+ 281.14146 153.6
[M+H-H2O]+ 225.17556 159.3
[M+HCOO]- 287.17650 183.5
[M+CH3COO]- 301.19215 182.0
[M+Na-2H]- 263.15297 174.5
[M]+ 242.17775 161.9
[M]- 242.17885 161.9
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