CID 5352790

1-(1-propenylthio)propyl propyl disulfide

Structural Information

Molecular Formula
C9H18S3
SMILES
CCCSSC(CC)S/C=C/C
InChI
InChI=1S/C9H18S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4,7,9H,5-6,8H2,1-3H3/b7-4+
InChIKey
HWAMRUBZEUCVAJ-QPJJXVBHSA-N
Compound name
1-[(E)-prop-1-enyl]sulfanyl-1-(propyldisulfanyl)propane
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 145.2
[M+Na]+ 245.04629 150.8
[M-H]- 221.04979 144.1
[M+NH4]+ 240.09089 163.7
[M+K]+ 261.02023 144.9
[M+H-H2O]+ 205.05433 139.2
[M+HCOO]- 267.05527 149.3
[M+CH3COO]- 281.07092 190.1
[M+Na-2H]- 243.03174 142.2
[M]+ 222.05652 147.8
[M]- 222.05762 147.8
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.