CID 16683939

Di(pentanoyloxy)dibutylstannane

Structural Information

Molecular Formula
C18H36O4Sn
SMILES
CCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCC
InChI
InChI=1S/2C5H10O2.2C4H9.Sn/c2*1-2-3-4-5(6)7;2*1-3-4-2;/h2*2-4H2,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
PYBPCQJVGLCIBL-UHFFFAOYSA-L
Compound name
[dibutyl(pentanoyloxy)stannyl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

436.16357 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.17085 208.8
[M+Na]+ 459.15279 210.5
[M-H]- 435.15629 206.4
[M+NH4]+ 454.19739 221.9
[M+K]+ 475.12673 208.4
[M+H-H2O]+ 419.16083 201.4
[M+HCOO]- 481.16177 225.0
[M+CH3COO]- 495.17742 216.9
[M+Na-2H]- 457.13824 205.4
[M]+ 436.16302 217.7
[M]- 436.16412 217.7
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

patents stripe