CID 20381861

5-(methylthio)-2-[(methylthio)methyl]-2-pentenal

Structural Information

Molecular Formula
C8H14OS2
SMILES
CSCC/C=C(/CSC)\C=O
InChI
InChI=1S/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3/b8-4+
InChIKey
VVZWQNGEMWJSTM-XBXARRHUSA-N
Compound name
(E)-5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

127
Patents

190.04861 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05589 143.0
[M+Na]+ 213.03783 151.9
[M+NH4]+ 208.08243 151.3
[M+K]+ 229.01177 141.9
[M-H]- 189.04133 142.8
[M+Na-2H]- 211.02328 144.4
[M]+ 190.04806 145.0
[M]- 190.04916 145.0
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