CID 209441

1-propanesulfonic acid, 3-((2-mercapto-1-(mercaptomethyl)ethyl)thio)-, sodium salt

Structural Information

Molecular Formula
C6H14O3S4
SMILES
C(CSC(CS)CS)CS(=O)(=O)O
InChI
InChI=1S/C6H14O3S4/c7-13(8,9)3-1-2-12-6(4-10)5-11/h6,10-11H,1-5H2,(H,7,8,9)
InChIKey
NBRVYHMATUMNLV-UHFFFAOYSA-N
Compound name
3-[1,3-bis(sulfanyl)propan-2-ylsulfanyl]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.98257 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98985 154.6
[M+Na]+ 284.97179 159.8
[M+NH4]+ 280.01639 161.2
[M+K]+ 300.94573 150.3
[M-H]- 260.97529 152.6
[M+Na-2H]- 282.95724 152.7
[M]+ 261.98202 156.2
[M]- 261.98312 156.2
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.