CID 160137

Isooctyl ((tributylstannyl)thio)acetate

Structural Information

Molecular Formula
C22H46O2SSn
SMILES
CCCC[Sn](CCCC)(CCCC)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/C10H20O2S.3C4H9.Sn/c1-9(2)6-4-3-5-7-12-10(11)8-13;3*1-3-4-2;/h9,13H,3-8H2,1-2H3;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
YOAWISBAEFEJRW-UHFFFAOYSA-M
Compound name
6-methylheptyl 2-tributylstannylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.22406 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.23134 221.0
[M+Na]+ 517.21328 226.0
[M+NH4]+ 512.25788 225.4
[M+K]+ 533.18722 216.1
[M-H]- 493.21678 218.4
[M+Na-2H]- 515.19873 218.1
[M]+ 494.22351 221.2
[M]- 494.22461 221.2
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.