CID 16684108

68109-88-6

Structural Information

Molecular Formula
C28H48O8Sn
SMILES
CCCCCCCC[Sn](OC(=O)/C=C/C(=O)OCC)(OC(=O)/C=C/C(=O)OCC)CCCCCCCC
InChI
InChI=1S/2C8H17.2C6H8O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-8H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2/b;;2*4-3+;
InChIKey
DRZLVZYYZKVLCK-SEYKUYGWSA-L
Compound name
4-O-[[(E)-4-ethoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-ethyl (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

576
Patents

632.2371 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.24438 250.9
[M+Na]+ 655.22632 259.2
[M-H]- 631.22982 249.2
[M+NH4]+ 650.27092 262.7
[M+K]+ 671.20026 257.8
[M+H-H2O]+ 615.23436 252.2
[M+HCOO]- 677.23530 258.8
[M+CH3COO]- 691.25095 249.0
[M+Na-2H]- 653.21177 238.2
[M]+ 632.23655 250.8
[M]- 632.23765 250.8
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