CID 45764

Ammonium, dithiodiethylenebis(ethyldimethyl-, dibromide

Structural Information

Molecular Formula
C12H30N2S2
SMILES
CC[N+](C)(C)CCSSCC[N+](C)(C)CC
InChI
InChI=1S/C12H30N2S2/c1-7-13(3,4)9-11-15-16-12-10-14(5,6)8-2/h7-12H2,1-6H3/q+2
InChIKey
WENCFWIWAVOZEF-UHFFFAOYSA-N
Compound name
ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.18503 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19231 150.2
[M+Na]+ 289.17425 154.2
[M-H]- 265.17775 152.5
[M+NH4]+ 284.21885 168.0
[M+K]+ 305.14819 141.3
[M+H-H2O]+ 249.18229 148.9
[M+HCOO]- 311.18323 161.5
[M+CH3COO]- 325.19888 197.6
[M+Na-2H]- 287.15970 156.9
[M]+ 266.18448 152.7
[M]- 266.18558 152.7
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.