CID 528859

Propyl 1-(propylthio)propyl disulfide

Structural Information

Molecular Formula
C9H20S3
SMILES
CCCSC(CC)SSCCC
InChI
InChI=1S/C9H20S3/c1-4-7-10-9(6-3)12-11-8-5-2/h9H,4-8H2,1-3H3
InChIKey
NPIXBDUKSDQMKL-UHFFFAOYSA-N
Compound name
1-(propyldisulfanyl)-1-propylsulfanylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

224.07271 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07999 145.5
[M+Na]+ 247.06193 150.7
[M-H]- 223.06543 144.3
[M+NH4]+ 242.10653 163.9
[M+K]+ 263.03587 145.5
[M+H-H2O]+ 207.06997 139.4
[M+HCOO]- 269.07091 149.4
[M+CH3COO]- 283.08656 191.6
[M+Na-2H]- 245.04738 142.5
[M]+ 224.07216 148.8
[M]- 224.07326 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

literature stripe

Patent stripe

No patent data available for this compound.