CID 131752500

1-propenyl 1-(1-propenylthio)propyl disulfide

Structural Information

Molecular Formula
C9H16S3
SMILES
CCC(S/C=C\C)SS/C=C/C
InChI
InChI=1S/C9H16S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4-,8-5+
InChIKey
YFTPKQUIYROJDX-DKBJKEKUSA-N
Compound name
1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfanylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

220.04141 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04869 144.9
[M+Na]+ 243.03063 150.8
[M-H]- 219.03413 143.9
[M+NH4]+ 238.07523 163.5
[M+K]+ 259.00457 144.4
[M+H-H2O]+ 203.03867 139.0
[M+HCOO]- 265.03961 149.2
[M+CH3COO]- 279.05526 188.6
[M+Na-2H]- 241.01608 141.8
[M]+ 220.04086 146.7
[M]- 220.04196 146.7
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

patents stripe