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]+ 287.34208 173.9
[M+Na]+ 309.32402 176.4
[M-H]- 285.32752 175.9
[M+NH4]+ 304.36862 190.9
[M+K]+ 325.29796 164.6
[M+H-H2O]+ 269.33206 173.4
[M+HCOO]- 331.33300 194.7
[M+CH3COO]- 345.34865 207.4
[M+Na-2H]- 307.30947 182.7
[M]+ 286.33425 177.5
[M]- 286.33535 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.