CID 131864328

288374-32-3

Structural Information

Molecular Formula
C22H44O6Sn
SMILES
CCCCC(CC)C(=O)O[Sn](OC(C)C)(OC(C)C)OC(=O)C(CC)CCCC
InChI
InChI=1S/2C8H16O2.2C3H7O.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3(2)4;/h2*7H,3-6H2,1-2H3,(H,9,10);2*3H,1-2H3;/q;;2*-1;+4/p-2
InChIKey
RGWFMRJCMRMYPK-UHFFFAOYSA-L
Compound name
[2-ethylhexanoyloxy-di(propan-2-yloxy)stannyl] 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.22328 229.7
[M+Na]+ 547.20522 238.7
[M-H]- 523.20872 228.7
[M+NH4]+ 542.24982 241.9
[M+K]+ 563.17916 238.0
[M+H-H2O]+ 507.21326 232.4
[M+HCOO]- 569.21420 232.0
[M+CH3COO]- 583.22985 235.5
[M+Na-2H]- 545.19067 220.0
[M]+ 524.21545 230.7
[M]- 524.21655 230.7
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.