CID 85752107

Propyl 1-(propylsulfinyl)propyl disulfide

Structural Information

Molecular Formula
C9H20OS3
SMILES
CCCSSC(CC)S(=O)CCC
InChI
InChI=1S/C9H20OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h9H,4-8H2,1-3H3
InChIKey
NIBWKLISDHVING-UHFFFAOYSA-N
Compound name
1-(propyldisulfanyl)-1-propylsulfinylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

240.06763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07491 150.0
[M+Na]+ 263.05685 154.8
[M-H]- 239.06035 148.7
[M+NH4]+ 258.10145 167.5
[M+K]+ 279.03079 149.7
[M+H-H2O]+ 223.06489 143.7
[M+HCOO]- 285.06583 153.2
[M+CH3COO]- 299.08148 193.3
[M+Na-2H]- 261.04230 146.2
[M]+ 240.06708 153.4
[M]- 240.06818 153.4
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.