CID 16684054

Stannane, butyltris((2-ethyl-1-oxohexyl)oxy)-

Structural Information

Molecular Formula
C28H54O6Sn
SMILES
CCCCC(CC)C(=O)O[Sn](CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
InChI
InChI=1S/3C8H16O2.C4H9.Sn/c3*1-3-5-6-7(4-2)8(9)10;1-3-4-2;/h3*7H,3-6H2,1-2H3,(H,9,10);1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
GVKORIDPEBYOFR-UHFFFAOYSA-K
Compound name
[butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2179
Patents

606.29425 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.30153 249.0
[M+Na]+ 629.28347 257.6
[M-H]- 605.28697 246.6
[M+NH4]+ 624.32807 261.4
[M+K]+ 645.25741 258.9
[M+H-H2O]+ 589.29151 251.0
[M+HCOO]- 651.29245 249.7
[M+CH3COO]- 665.30810 250.9
[M+Na-2H]- 627.26892 237.1
[M]+ 606.29370 249.5
[M]- 606.29480 249.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe