CID 56842651

Dibutylbis((1-oxoisooctyl)oxy)stannane

Structural Information

Molecular Formula
C24H48O4Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)CCCCC(C)C)OC(=O)CCCCC(C)C
InChI
InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-7(2)5-3-4-6-8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
SHRAEISUGISTAR-UHFFFAOYSA-L
Compound name
[dibutyl(6-methylheptanoyloxy)stannyl] 6-methylheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.25745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26473 233.7
[M+Na]+ 543.24667 242.5
[M-H]- 519.25017 227.7
[M+NH4]+ 538.29127 241.3
[M+K]+ 559.22061 241.7
[M+H-H2O]+ 503.25471 227.2
[M+HCOO]- 565.25565 239.9
[M+CH3COO]- 579.27130 235.9
[M+Na-2H]- 541.23212 226.5
[M]+ 520.25690 234.3
[M]- 520.25800 234.3
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.