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 147.5
[M+Na]+ 227.05347 155.8
[M+NH4]+ 222.09807 155.5
[M+K]+ 243.02741 146.5
[M-H]- 203.05697 147.0
[M+Na-2H]- 225.03892 148.4
[M]+ 204.06370 149.3
[M]- 204.06480 149.3
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.