CID 46051

Ammonium, heptamethylenebis(diethylmethyl-, dibromide

Structural Information

Molecular Formula
C17H40N2
SMILES
CC[N+](C)(CC)CCCCCCC[N+](C)(CC)CC
InChI
InChI=1S/C17H40N2/c1-7-18(5,8-2)16-14-12-11-13-15-17-19(6,9-3)10-4/h7-17H2,1-6H3/q+2
InChIKey
MKGYKJGULPUSCM-UHFFFAOYSA-N
Compound name
7-[diethyl(methyl)azaniumyl]heptyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.31915 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.32643 169.2
[M+Na]+ 295.30837 172.1
[M-H]- 271.31187 171.4
[M+NH4]+ 290.35297 186.8
[M+K]+ 311.28231 160.5
[M+H-H2O]+ 255.31641 168.9
[M+HCOO]- 317.31735 190.3
[M+CH3COO]- 331.33300 204.4
[M+Na-2H]- 293.29382 178.5
[M]+ 272.31860 172.5
[M]- 272.31970 172.5
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.