CID 3041341

Dtxsid50968762

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]+ 243.185576 163.6
[M+Na]+ 265.167518 168.9
[M-H]- 241.171024 166.9
[M+NH4]+ 260.212123 177.1
[M+K]+ 281.141458 153.6
[M+H-H2O]+ 225.175560 159.3
[M+HCOO]- 287.176501 183.5
[M+CH3COO]- 301.192151 182.0
[M+Na-2H]- 263.152966 174.5
[M]+ 242.17775142 161.9
[M]- 242.17884858 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