CID 5352729

(e)-1-propenyl 1-(propylthio)propyl disulfide

Structural Information

Molecular Formula
C9H18S3
SMILES
CCCSC(CC)SS/C=C/C
InChI
InChI=1S/C9H18S3/c1-4-7-10-9(6-3)12-11-8-5-2/h5,8-9H,4,6-7H2,1-3H3/b8-5+
InChIKey
ZJSMHYXMALNRQK-VMPITWQZSA-N
Compound name
1-[[(E)-prop-1-enyl]disulfanyl]-1-propylsulfanylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

222.05707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06435 147.5
[M+Na]+ 245.04629 155.6
[M+NH4]+ 240.09089 156.4
[M+K]+ 261.02023 144.0
[M-H]- 221.04979 148.2
[M+Na-2H]- 243.03174 148.2
[M]+ 222.05652 150.2
[M]- 222.05762 150.2
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.