CID 12346408

Dtxsid901212697

Structural Information

Molecular Formula
C7H16O6S4
SMILES
C(CSCSCCCS(=O)(=O)O)CS(=O)(=O)O
InChI
InChI=1S/C7H16O6S4/c8-16(9,10)5-1-3-14-7-15-4-2-6-17(11,12)13/h1-7H2,(H,8,9,10)(H,11,12,13)
InChIKey
GEYGXMMHRIETRT-UHFFFAOYSA-N
Compound name
3-(3-sulfopropylsulfanylmethylsulfanyl)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.98297 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.99025 172.0
[M+Na]+ 346.97219 175.2
[M+NH4]+ 342.01679 175.8
[M+K]+ 362.94613 167.1
[M-H]- 322.97569 167.1
[M+Na-2H]- 344.95764 168.3
[M]+ 323.98242 172.3
[M]- 323.98352 172.3
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.