CID 88076835

1-propenyl 1-(1-propenylsulfinyl)propyl disulfide

Structural Information

Molecular Formula
C9H16OS3
SMILES
CCC(SS/C=C/C)S(=O)/C=C\C
InChI
InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4+,8-5-
InChIKey
ODTGLDLGRKWIAI-NIQPXEJBSA-N
Compound name
1-[[(E)-prop-1-enyl]disulfanyl]-1-[(Z)-prop-1-enyl]sulfinylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

236.03633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04361 152.2
[M+Na]+ 259.02555 159.5
[M+NH4]+ 254.07015 159.8
[M+K]+ 274.99949 148.7
[M-H]- 235.02905 151.6
[M+Na-2H]- 257.01100 151.8
[M]+ 236.03578 154.2
[M]- 236.03688 154.2
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

patents stripe