CID 474247

99848-17-6

Structural Information

Molecular Formula
C7H14O2S3
SMILES
CSCCC(=O)OCC(CS)S
InChI
InChI=1S/C7H14O2S3/c1-12-3-2-7(8)9-4-6(11)5-10/h6,10-11H,2-5H2,1H3
InChIKey
FZBWWGKWYVYXCO-UHFFFAOYSA-N
Compound name
2,3-bis(sulfanyl)propyl 3-methylsulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0156 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02288 146.7
[M+Na]+ 249.00482 153.9
[M+NH4]+ 244.04942 154.6
[M+K]+ 264.97876 144.3
[M-H]- 225.00832 146.2
[M+Na-2H]- 246.99027 146.7
[M]+ 226.01505 148.8
[M]- 226.01615 148.8
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.