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]+ 205.07153 144.4
[M+Na]+ 227.05347 150.2
[M-H]- 203.05697 144.2
[M+NH4]+ 222.09807 164.0
[M+K]+ 243.02741 146.7
[M+H-H2O]+ 187.06151 138.8
[M+HCOO]- 249.06245 154.2
[M+CH3COO]- 263.07810 185.5
[M+Na-2H]- 225.03892 141.8
[M]+ 204.06370 148.0
[M]- 204.06480 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.