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
2
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]+ 137.00894 123.0
[M+Na]+ 158.99088 131.1
[M-H]- 134.99438 123.6
[M+NH4]+ 154.03548 145.3
[M+K]+ 174.96482 128.5
[M+H-H2O]+ 118.99892 118.3
[M+HCOO]- 180.99986 135.3
[M+CH3COO]- 195.01551 170.7
[M+Na-2H]- 156.97633 123.6
[M]+ 136.00111 125.5
[M]- 136.00221 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.