CID 105879

Bis(2-sulfanylethyl) 3,3'-sulfanediyldipropanoate

Structural Information

Molecular Formula
C10H18O4S3
SMILES
C(CSCCC(=O)OCCS)C(=O)OCCS
InChI
InChI=1S/C10H18O4S3/c11-9(13-3-5-15)1-7-17-8-2-10(12)14-4-6-16/h15-16H,1-8H2
InChIKey
FZSIEPOWYMJQCT-UHFFFAOYSA-N
Compound name
2-sulfanylethyl 3-[3-oxo-3-(2-sulfanylethoxy)propyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

513
Patents

298.0367 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04398 164.6
[M+Na]+ 321.02592 170.2
[M+NH4]+ 316.07052 170.7
[M+K]+ 336.99986 161.0
[M-H]- 297.02942 162.6
[M+Na-2H]- 319.01137 163.2
[M]+ 298.03615 165.8
[M]- 298.03725 165.8
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

patents stripe