CID 16684348

Diethyltin dicaprylate

Structural Information

Molecular Formula
C20H40O4Sn
SMILES
CCCCCCCC(=O)O[Sn](CC)(CC)OC(=O)CCCCCCC
InChI
InChI=1S/2C8H16O2.2C2H5.Sn/c2*1-2-3-4-5-6-7-8(9)10;2*1-2;/h2*2-7H2,1H3,(H,9,10);2*1H2,2H3;/q;;;;+2/p-2
InChIKey
IZMNEIJXTTYGSM-UHFFFAOYSA-L
Compound name
[diethyl(octanoyloxy)stannyl] octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

464.19485 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.20213 217.9
[M+Na]+ 487.18407 218.7
[M-H]- 463.18757 215.0
[M+NH4]+ 482.22867 225.1
[M+K]+ 503.15801 216.1
[M+H-H2O]+ 447.19211 210.0
[M+HCOO]- 509.19305 233.0
[M+CH3COO]- 523.20870 222.7
[M+Na-2H]- 485.16952 213.4
[M]+ 464.19430 227.5
[M]- 464.19540 227.5
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