CID 20209224

S-2-propenyl 1-propanesulfinothioate

Structural Information

Molecular Formula
C6H12OS2
SMILES
CCCS(=O)SCC=C
InChI
InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3H,1,4-6H2,2H3
InChIKey
HGCYYFWMWRCDLT-UHFFFAOYSA-N
Compound name
1-prop-2-enylsulfanylsulfinylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

164.03296 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04024 131.4
[M+Na]+ 187.02218 138.6
[M-H]- 163.02568 131.6
[M+NH4]+ 182.06678 152.6
[M+K]+ 202.99612 135.4
[M+H-H2O]+ 147.03022 126.3
[M+HCOO]- 209.03116 143.1
[M+CH3COO]- 223.04681 177.2
[M+Na-2H]- 185.00763 131.1
[M]+ 164.03241 134.7
[M]- 164.03351 134.7
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