CID 34820

Hexamethylenebis(dimethylheptylammonium) diiodide

Structural Information

Molecular Formula
C24H54N2
SMILES
CCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCC
InChI
InChI=1S/C24H54N2/c1-7-9-11-13-17-21-25(3,4)23-19-15-16-20-24-26(5,6)22-18-14-12-10-8-2/h7-24H2,1-6H3/q+2
InChIKey
XTSKLKUSHWISDX-UHFFFAOYSA-N
Compound name
heptyl-[6-[heptyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.4287 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.43598 230.3
[M+Na]+ 393.41792 234.3
[M+NH4]+ 388.46252 236.0
[M+K]+ 409.39186 237.8
[M-H]- 369.42142 222.8
[M+Na-2H]- 391.40337 220.5
[M]+ 370.42815 229.8
[M]- 370.42925 229.8
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

No patent data available for this compound.