CID 3078752

Bis(2-sodiothiosulfatoethyl)amine tetrahydrate

Structural Information

Molecular Formula
C4H11NO6S4
SMILES
C(CSS(=O)(=O)O)NCCSS(=O)(=O)O
InChI
InChI=1S/C4H11NO6S4/c6-14(7,8)12-3-1-5-2-4-13-15(9,10)11/h5H,1-4H2,(H,6,7,8)(H,9,10,11)
InChIKey
SPKBWZUVDWEMJL-UHFFFAOYSA-N
Compound name
1-sulfosulfanyl-2-(2-sulfosulfanylethylamino)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.94693 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.95421 165.6
[M+Na]+ 319.93615 169.2
[M-H]- 295.93965 159.2
[M+NH4]+ 314.98075 176.7
[M+K]+ 335.91009 159.7
[M+H-H2O]+ 279.94419 158.6
[M+HCOO]- 341.94513 162.7
[M+CH3COO]- 355.96078 191.9
[M+Na-2H]- 317.92160 168.5
[M]+ 296.94638 164.2
[M]- 296.94748 164.2
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.