CID 134813473

Carbonodithioic acid, o-(2-methylbutyl) s-2-propen-1-yl ester

Structural Information

Molecular Formula
C9H16OS2
SMILES
CCC(C)COC(=S)SCC=C
InChI
InChI=1S/C9H16OS2/c1-4-6-12-9(11)10-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3
InChIKey
VEDOXOMOCIVEAI-UHFFFAOYSA-N
Compound name
O-(2-methylbutyl) prop-2-enylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

204.06425 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.071526 144.4
[M+Na]+ 227.053468 150.2
[M-H]- 203.056974 144.2
[M+NH4]+ 222.098073 164.0
[M+K]+ 243.027408 146.7
[M+H-H2O]+ 187.061510 138.8
[M+HCOO]- 249.062451 154.2
[M+CH3COO]- 263.078101 185.5
[M+Na-2H]- 225.038916 141.8
[M]+ 204.06370142 148.0
[M]- 204.06479858 148.0
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.