CID 58219317

S-2-propenyl 1-propenesulfinothioate

Structural Information

Molecular Formula
C6H10OS2
SMILES
C/C=C/S(=O)SCC=C
InChI
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
InChIKey
MMTFXWIIILIGFN-GQCTYLIASA-N
Compound name
(E)-1-prop-2-enylsulfanylsulfinylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

162.0173 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.024576 130.7
[M+Na]+ 185.006518 138.3
[M-H]- 161.010024 131.0
[M+NH4]+ 180.051123 151.9
[M+K]+ 200.980458 134.5
[M+H-H2O]+ 145.014560 125.7
[M+HCOO]- 207.015501 142.6
[M+CH3COO]- 221.031151 175.7
[M+Na-2H]- 182.991966 130.4
[M]+ 162.01675142 133.2
[M]- 162.01784858 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe