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 222.4
[M+Na]+ 543.10116 232.2
[M-H]- 519.10466 223.7
[M+NH4]+ 538.14576 234.5
[M+K]+ 559.07510 227.5
[M+H-H2O]+ 503.10920 224.7
[M+HCOO]- 565.11014 233.6
[M+CH3COO]- 579.12579 226.3
[M+Na-2H]- 541.08661 213.4
[M]+ 520.11139 222.7
[M]- 520.11249 222.7
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