CID 6434938

Trans-3-hexenylenebis(trimethylammonium)dibromide

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]+ 201.23253 144.0
[M+Na]+ 223.21447 149.3
[M-H]- 199.21797 147.3
[M+NH4]+ 218.25907 164.4
[M+K]+ 239.18841 138.5
[M+H-H2O]+ 183.22251 144.9
[M+HCOO]- 245.22345 167.0
[M+CH3COO]- 259.23910 187.3
[M+Na-2H]- 221.19992 156.0
[M]+ 200.22470 144.7
[M]- 200.22580 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.