CID 6712076

Nsc655077

Structural Information

Molecular Formula
C10H18O4S2
SMILES
CCOC(C[C@@H]([C@H]1COC(=S)S1)O)OCC
InChI
InChI=1S/C10H18O4S2/c1-3-12-9(13-4-2)5-7(11)8-6-14-10(15)16-8/h7-9,11H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKey
JEWSOKJFFIJVSC-JGVFFNPUSA-N
Compound name
(4R)-4-[(1S)-3,3-diethoxy-1-hydroxypropyl]-1,3-oxathiolane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

266.06464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07192 159.7
[M+Na]+ 289.05386 164.5
[M-H]- 265.05736 161.6
[M+NH4]+ 284.09846 176.5
[M+K]+ 305.02780 163.0
[M+H-H2O]+ 249.06190 154.6
[M+HCOO]- 311.06284 167.6
[M+CH3COO]- 325.07849 191.1
[M+Na-2H]- 287.03931 156.2
[M]+ 266.06409 163.8
[M]- 266.06519 163.8
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.