CID 82679

2,2'-disulfanediylbis(n,n,n-trimethylethan-1-aminium) iodide

Structural Information

Molecular Formula
C10H26N2S2
SMILES
C[N+](C)(C)CCSSCC[N+](C)(C)C
InChI
InChI=1S/C10H26N2S2/c1-11(2,3)7-9-13-14-10-8-12(4,5)6/h7-10H2,1-6H3/q+2
InChIKey
ZZEBJTBRKQKJBO-UHFFFAOYSA-N
Compound name
trimethyl-[2-[2-(trimethylazaniumyl)ethyldisulfanyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

238.15375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16103 141.5
[M+Na]+ 261.14297 146.3
[M-H]- 237.14647 144.2
[M+NH4]+ 256.18757 160.4
[M+K]+ 277.11691 133.9
[M+H-H2O]+ 221.15101 140.6
[M+HCOO]- 283.15195 153.4
[M+CH3COO]- 297.16760 191.8
[M+Na-2H]- 259.12842 149.1
[M]+ 238.15320 143.3
[M]- 238.15430 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe