CID 139596987

Ns00061531

Structural Information

Molecular Formula
C22H30O12Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OCC)(OC(=O)/C=C\C(=O)OCC)OC(=O)C=CC(=O)OCC
InChI
InChI=1S/3C6H8O4.C4H9.Sn/c3*1-2-10-6(9)4-3-5(7)8;1-3-4-2;/h3*3-4H,2H2,1H3,(H,7,8);1,3-4H2,2H3;/q;;;;+3/p-3/b2*4-3-;;;
InChIKey
RVSLCHMIGMLDMI-VGKOASNMSA-K
Compound name
4-O-[butyl-bis[[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxy]stannyl] 1-O-ethyl but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.0759 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.083176 239.9
[M+Na]+ 629.065118 249.8
[M-H]- 605.068624 248.3
[M+NH4]+ 624.109723 258.9
[M+K]+ 645.039058 245.3
[M+H-H2O]+ 589.073160 243.6
[M+HCOO]- 651.074101 247.6
[M+CH3COO]- 665.089751 237.6
[M+Na-2H]- 627.050566 230.6
[M]+ 606.07535142 241.2
[M]- 606.07644858 241.2
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.