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 201.7
[M+Na]+ 393.41792 201.8
[M-H]- 369.42142 238.6
[M+NH4]+ 388.46252 246.1
[M+K]+ 409.39186 188.4
[M+H-H2O]+ 353.42596 200.0
[M+HCOO]- 415.42690 266.9
[M+CH3COO]- 429.44255 225.1
[M+Na-2H]- 391.40337 207.4
[M]+ 370.42815 247.5
[M]- 370.42925 247.5
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.