CID 101415958

Methyl 1-(propylsulfinyl)propyl disulfide

Structural Information

Molecular Formula
C7H16OS3
SMILES
CCCS(=O)C(CC)SSC
InChI
InChI=1S/C7H16OS3/c1-4-6-11(8)7(5-2)10-9-3/h7H,4-6H2,1-3H3
InChIKey
JKVKTSYWSXATHW-UHFFFAOYSA-N
Compound name
1-(methyldisulfanyl)-1-propylsulfinylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

212.03633 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04361 142.0
[M+Na]+ 235.02555 147.7
[M-H]- 211.02905 141.1
[M+NH4]+ 230.07015 160.6
[M+K]+ 250.99949 143.0
[M+H-H2O]+ 195.03359 136.1
[M+HCOO]- 257.03453 145.8
[M+CH3COO]- 271.05018 187.6
[M+Na-2H]- 233.01100 139.1
[M]+ 212.03578 144.7
[M]- 212.03688 144.7
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.