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]+ 577.18178 235.8
[M+Na]+ 599.16372 245.9
[M-H]- 575.16722 238.6
[M+NH4]+ 594.20832 250.9
[M+K]+ 615.13766 244.0
[M+H-H2O]+ 559.17176 238.8
[M+HCOO]- 621.17270 240.7
[M+CH3COO]- 635.18835 239.3
[M+Na-2H]- 597.14917 226.3
[M]+ 576.17395 236.4
[M]- 576.17505 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