CID 131751979

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

Structural Information

Molecular Formula
C9H16OS3
SMILES
CCC(SSCC=C)S(=O)/C=C/C
InChI
InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,8-9H,1,6-7H2,2-3H3/b8-5+
InChIKey
ZNCVCGZAKFLEMH-VMPITWQZSA-N
Compound name
1-(prop-2-enyldisulfanyl)-1-[(E)-prop-1-enyl]sulfinylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

236.03633 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04361 149.1
[M+Na]+ 259.02555 154.6
[M-H]- 235.02905 147.9
[M+NH4]+ 254.07015 166.7
[M+K]+ 274.99949 148.2
[M+H-H2O]+ 219.03359 143.1
[M+HCOO]- 281.03453 152.6
[M+CH3COO]- 295.05018 190.9
[M+Na-2H]- 257.01100 145.3
[M]+ 236.03578 151.1
[M]- 236.03688 151.1
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.