CID 34749

29873-38-9

Structural Information

Molecular Formula
C16H22N2
SMILES
CCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCC
InChI
InChI=1S/C16H22N2/c1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16/h5-8,11-14H,3-4,9-10H2,1-2H3/q+2
InChIKey
ZEBGBBHACLKGGZ-UHFFFAOYSA-N
Compound name
1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

242.1783 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 156.7
[M+Na]+ 265.16752 176.6
[M+NH4]+ 260.21212 167.7
[M+K]+ 281.14146 168.3
[M-H]- 241.17102 164.7
[M+Na-2H]- 263.15297 168.6
[M]+ 242.17775 162.8
[M]- 242.17885 162.8
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