CID 6434938

Ammonium, 3-hexenylenebis(trimethyl-, dibromide, (e)-

Structural Information

Molecular Formula
C12H28N2
SMILES
C[N+](C)(C)CC/C=C/CC[N+](C)(C)C
InChI
InChI=1S/C12H28N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-8H,9-12H2,1-6H3/q+2/b8-7+
InChIKey
XCGLZGLKWKCIAI-BQYQJAHWSA-N
Compound name
trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.22525 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.232526 144.0
[M+Na]+ 223.214468 149.3
[M-H]- 199.217974 147.3
[M+NH4]+ 218.259073 164.4
[M+K]+ 239.188408 138.5
[M+H-H2O]+ 183.222510 144.9
[M+HCOO]- 245.223451 167.0
[M+CH3COO]- 259.239101 187.3
[M+Na-2H]- 221.199916 156.0
[M]+ 200.22470142 144.7
[M]- 200.22579858 144.7
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.