CID 139594125

Ns00057251

Structural Information

Molecular Formula
C26H38O12Sn
SMILES
CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCC)(OC(=O)/C=C\C(=O)OCC)OC(=O)C=CC(=O)OCC
InChI
InChI=1S/C8H17.3C6H8O4.Sn/c1-3-5-7-8-6-4-2;3*1-2-10-6(9)4-3-5(7)8;/h1,3-8H2,2H3;3*3-4H,2H2,1H3,(H,7,8);/q;;;;+3/p-3/b;2*4-3-;;
InChIKey
ACKAZRMDLVXHDX-GLPMUSQESA-K
Compound name
4-O-[bis[[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxy]-octylstannyl] 1-O-ethyl but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.13855 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.145826 253.9
[M+Na]+ 685.127768 263.2
[M-H]- 661.131274 260.8
[M+NH4]+ 680.172373 272.8
[M+K]+ 701.101708 260.3
[M+H-H2O]+ 645.135810 257.1
[M+HCOO]- 707.136751 260.0
[M+CH3COO]- 721.152401 248.7
[M+Na-2H]- 683.113216 242.9
[M]+ 662.13800142 255.4
[M]- 662.13909858 255.4
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

No patent data available for this compound.