CID 5352728

Methyl 1-(1-propenylthio)propyl disulfide

Structural Information

Molecular Formula
C7H14S3
SMILES
CCC(S/C=C/C)SSC
InChI
InChI=1S/C7H14S3/c1-4-6-9-7(5-2)10-8-3/h4,6-7H,5H2,1-3H3/b6-4+
InChIKey
MLJHEPZOIZWECP-GQCTYLIASA-N
Compound name
1-(methyldisulfanyl)-1-[(E)-prop-1-enyl]sulfanylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

194.02576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03304 137.3
[M+Na]+ 217.01498 143.7
[M-H]- 193.01848 136.6
[M+NH4]+ 212.05958 156.9
[M+K]+ 232.98892 138.4
[M+H-H2O]+ 177.02302 131.7
[M+HCOO]- 239.02396 142.0
[M+CH3COO]- 253.03961 184.4
[M+Na-2H]- 215.00043 135.0
[M]+ 194.02521 139.2
[M]- 194.02631 139.2
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

No patent data available for this compound.