CID 53251

1-methyl-1'-pentyl-4,4'-bipyridinium diiodide

Structural Information

Molecular Formula
C16H22N2
SMILES
CCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C
InChI
InChI=1S/C16H22N2/c1-3-4-5-10-18-13-8-16(9-14-18)15-6-11-17(2)12-7-15/h6-9,11-14H,3-5,10H2,1-2H3/q+2
InChIKey
JQRWJELGSSKLOY-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-pentylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

242.1783 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 162.9
[M+Na]+ 265.16752 170.2
[M-H]- 241.17102 167.1
[M+NH4]+ 260.21212 177.2
[M+K]+ 281.14146 154.8
[M+H-H2O]+ 225.17556 159.1
[M+HCOO]- 287.17650 182.9
[M+CH3COO]- 301.19215 183.8
[M+Na-2H]- 263.15297 172.6
[M]+ 242.17775 162.0
[M]- 242.17885 162.0
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