CID 16684170

13173-04-1

Structural Information

Molecular Formula
C20H32O8Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OCC)(OC(=O)/C=C\C(=O)OCC)CCCC
InChI
InChI=1S/2C6H8O4.2C4H9.Sn/c2*1-2-10-6(9)4-3-5(7)8;2*1-3-4-2;/h2*3-4H,2H2,1H3,(H,7,8);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;
InChIKey
OSGZEAQLLRZGHT-VGKOASNMSA-L
Compound name
4-O-[dibutyl-[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-ethyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

552
Patents

520.11194 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.11922 206.1
[M+Na]+ 543.10116 208.9
[M+NH4]+ 538.14576 211.3
[M+K]+ 559.07510 206.6
[M-H]- 519.10466 202.3
[M+Na-2H]- 541.08661 212.1
[M]+ 520.11139 205.7
[M]- 520.11249 205.7
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