CID 420563

Potassium 3-(methylsulfonylthio)propanesulfonate

Structural Information

Molecular Formula
C4H10O5S3
SMILES
CS(=O)(=O)SCCCS(=O)(=O)O
InChI
InChI=1S/C4H10O5S3/c1-11(5,6)10-3-2-4-12(7,8)9/h2-4H2,1H3,(H,7,8,9)
InChIKey
QRZRJFJCMZVGRN-UHFFFAOYSA-N
Compound name
3-methylsulfonylsulfanylpropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

233.96904 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97632 149.3
[M+Na]+ 256.95826 156.2
[M-H]- 232.96176 146.9
[M+NH4]+ 252.00286 165.6
[M+K]+ 272.93220 150.6
[M+H-H2O]+ 216.96630 143.9
[M+HCOO]- 278.96724 153.4
[M+CH3COO]- 292.98289 180.8
[M+Na-2H]- 254.94371 151.4
[M]+ 233.96849 152.3
[M]- 233.96959 152.3
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

patents stripe