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 226.8
[M+Na]+ 517.21328 226.1
[M-H]- 493.21678 223.4
[M+NH4]+ 512.25788 238.0
[M+K]+ 533.18722 221.5
[M+H-H2O]+ 477.22132 218.3
[M+HCOO]- 539.22226 235.6
[M+CH3COO]- 553.23791 229.8
[M+Na-2H]- 515.19873 218.4
[M]+ 494.22351 236.9
[M]- 494.22461 236.9
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.