CID 112024

10225-81-7

Structural Information

Molecular Formula
C8H15NO5S2
SMILES
CN1CC(SC1=S)(C(C(C(CO)O)O)O)O
InChI
InChI=1S/C8H15NO5S2/c1-9-3-8(14,16-7(9)15)6(13)5(12)4(11)2-10/h4-6,10-14H,2-3H2,1H3
InChIKey
PJYWOSZGVKJXLI-UHFFFAOYSA-N
Compound name
5-hydroxy-3-methyl-5-(1,2,3,4-tetrahydroxybutyl)-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

269.03915 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04643 154.9
[M+Na]+ 292.02837 159.0
[M-H]- 268.03187 149.3
[M+NH4]+ 287.07297 170.2
[M+K]+ 308.00231 155.2
[M+H-H2O]+ 252.03641 151.7
[M+HCOO]- 314.03735 155.7
[M+CH3COO]- 328.05300 182.7
[M+Na-2H]- 290.01382 150.8
[M]+ 269.03860 152.7
[M]- 269.03970 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.