CID 29240

18749-83-2

Structural Information

Molecular Formula
C18H42N2
SMILES
CCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCC
InChI
InChI=1S/C18H42N2/c1-7-9-15-19(3,4)17-13-11-12-14-18-20(5,6)16-10-8-2/h7-18H2,1-6H3/q+2
InChIKey
JSQRDFVPKNSLQC-UHFFFAOYSA-N
Compound name
butyl-[6-[butyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.3348 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.342076 173.9
[M+Na]+ 309.324018 176.4
[M-H]- 285.327524 175.9
[M+NH4]+ 304.368623 190.9
[M+K]+ 325.297958 164.6
[M+H-H2O]+ 269.332060 173.4
[M+HCOO]- 331.333001 194.7
[M+CH3COO]- 345.348651 207.4
[M+Na-2H]- 307.309466 182.7
[M]+ 286.33425142 177.5
[M]- 286.33534858 177.5
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.