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
3
Annotation Hits

0
References

6
Patents

164.03296 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.040236 131.6
[M+Na]+ 187.022178 138.9
[M-H]- 163.025684 131.8
[M+NH4]+ 182.066783 152.8
[M+K]+ 202.996118 135.7
[M+H-H2O]+ 147.030220 126.5
[M+HCOO]- 209.031161 143.3
[M+CH3COO]- 223.046811 176.6
[M+Na-2H]- 185.007626 131.3
[M]+ 164.03241142 134.8
[M]- 164.03350858 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.