CID 34814

30100-41-5

Structural Information

Molecular Formula
C42H90N2
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H90N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43(3,4)41-37-33-34-38-42-44(5,6)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-42H2,1-6H3/q+2
InChIKey
PMLOGUBFZSCCMK-UHFFFAOYSA-N
Compound name
hexadecyl-[6-[hexadecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

622.7104 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.717676 309.9
[M+Na]+ 645.699618 314.2
[M-H]- 621.703124 295.2
[M+NH4]+ 640.744223 308.3
[M+K]+ 661.673558 315.4
[M+H-H2O]+ 605.707660 294.8
[M+HCOO]- 667.708601 323.1
[M+CH3COO]- 681.724251 276.3
[M+Na-2H]- 643.685066 288.7
[M]+ 622.70985142 307.5
[M]- 622.71094858 307.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.