CID 30866

Hexamethylenebis(dimethyldecylammonium), dichloride

Structural Information

Molecular Formula
C30H66N2
SMILES
CCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCC
InChI
InChI=1S/C30H66N2/c1-7-9-11-13-15-17-19-23-27-31(3,4)29-25-21-22-26-30-32(5,6)28-24-20-18-16-14-12-10-8-2/h7-30H2,1-6H3/q+2
InChIKey
OJPAFBDJICDBFV-UHFFFAOYSA-N
Compound name
decyl-[6-[decyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.5226 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.52988 268.7
[M+Na]+ 477.51182 275.5
[M-H]- 453.51532 258.4
[M+NH4]+ 472.55642 267.6
[M+K]+ 493.48576 271.7
[M+H-H2O]+ 437.51986 255.2
[M+HCOO]- 499.52080 286.5
[M+CH3COO]- 513.53645 242.6
[M+Na-2H]- 475.49727 252.8
[M]+ 454.52205 268.1
[M]- 454.52315 268.1
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.