CID 131751294

(z)-s-methyl 1-propenesulfinothioate

Structural Information

Molecular Formula
C4H8OS2
SMILES
C/C=C\S(=O)SC
InChI
InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3-4H,1-2H3/b4-3-
InChIKey
LXYFYPXBSIMFKX-ARJAWSKDSA-N
Compound name
(Z)-1-methylsulfanylsulfinylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

136.00166 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.008936 123.0
[M+Na]+ 158.990878 131.1
[M-H]- 134.994384 123.6
[M+NH4]+ 154.035483 145.3
[M+K]+ 174.964818 128.5
[M+H-H2O]+ 118.998920 118.3
[M+HCOO]- 180.999861 135.3
[M+CH3COO]- 195.015511 170.7
[M+Na-2H]- 156.976326 123.6
[M]+ 136.00111142 125.5
[M]- 136.00220858 125.5
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.