CID 16684083

59571-08-3

Structural Information

Molecular Formula
C24H40O8Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OCC(C)C)(OC(=O)/C=C\C(=O)OCC(C)C)CCCC
InChI
InChI=1S/2C8H12O4.2C4H9.Sn/c2*1-6(2)5-12-8(11)4-3-7(9)10;2*1-3-4-2;/h2*3-4,6H,5H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;
InChIKey
UDTOFZLPKAWQOU-VGKOASNMSA-L
Compound name
4-O-[dibutyl-[(Z)-4-(2-methylpropoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(2-methylpropyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.1745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.181776 235.8
[M+Na]+ 599.163718 245.9
[M-H]- 575.167224 238.6
[M+NH4]+ 594.208323 250.9
[M+K]+ 615.137658 244.0
[M+H-H2O]+ 559.171760 238.8
[M+HCOO]- 621.172701 240.7
[M+CH3COO]- 635.188351 239.3
[M+Na-2H]- 597.149166 226.3
[M]+ 576.17395142 236.4
[M]- 576.17504858 236.4
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