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

literature stripe

Patent stripe

patents stripe