CID 422008

Nsc141086

Structural Information

Molecular Formula
C4H10N2O6S4
SMILES
C(CSS(=O)(=O)O)N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C4H10N2O6S4/c5-4(3-14-16(10,11)12)6-1-2-13-15(7,8)9/h1-3H2,(H2,5,6)(H,7,8,9)(H,10,11,12)
InChIKey
OSSPEEBWTGVBLW-UHFFFAOYSA-N
Compound name
1-amino-2-sulfosulfanyl-1-(2-sulfosulfanylethylimino)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.94217 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.94945 168.3
[M+Na]+ 332.93139 171.1
[M-H]- 308.93489 162.3
[M+NH4]+ 327.97599 178.5
[M+K]+ 348.90533 161.6
[M+H-H2O]+ 292.93943 160.5
[M+HCOO]- 354.94037 165.8
[M+CH3COO]- 368.95602 197.6
[M+Na-2H]- 330.91684 170.9
[M]+ 309.94162 165.4
[M]- 309.94272 165.4
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.