CID 131751295

R-propyl 1-propenesulfinothioate

Structural Information

Molecular Formula
C6H12OS2
SMILES
CCCSS(=O)/C=C\C
InChI
InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3/b6-4-
InChIKey
PQPRIQKDDOEUMO-XQRVVYSFSA-N
Compound name
1-[(Z)-prop-1-enyl]sulfinylsulfanylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

164.03296 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04024 131.6
[M+Na]+ 187.02218 138.9
[M-H]- 163.02568 131.8
[M+NH4]+ 182.06678 152.8
[M+K]+ 202.99612 135.7
[M+H-H2O]+ 147.03022 126.5
[M+HCOO]- 209.03116 143.3
[M+CH3COO]- 223.04681 176.6
[M+Na-2H]- 185.00763 131.3
[M]+ 164.03241 134.8
[M]- 164.03351 134.8
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.