CID 88076797

1-propenyl 1-(propylsulfinyl)propyl disulfide

Structural Information

Molecular Formula
C9H18OS3
SMILES
CCCS(=O)C(CC)SS/C=C/C
InChI
InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4,7,9H,5-6,8H2,1-3H3/b7-4+
InChIKey
SNJBWARSGMEACP-QPJJXVBHSA-N
Compound name
1-[[(E)-prop-1-enyl]disulfanyl]-1-propylsulfinylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

238.05197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05925 149.6
[M+Na]+ 261.04119 154.8
[M-H]- 237.04469 148.4
[M+NH4]+ 256.08579 167.2
[M+K]+ 277.01513 149.1
[M+H-H2O]+ 221.04923 143.5
[M+HCOO]- 283.05017 153.0
[M+CH3COO]- 297.06582 191.8
[M+Na-2H]- 259.02664 145.9
[M]+ 238.05142 152.3
[M]- 238.05252 152.3
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