CID 16683075

15546-16-4

Structural Information

Molecular Formula
C24H40O8Sn
SMILES
CCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCC)(CCCC)CCCC
InChI
InChI=1S/2C8H12O4.2C4H9.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*5-4-;;;
InChIKey
OZDOQMMXEACZAA-NRFIWDAESA-L
Compound name
4-O-[[(Z)-4-butoxy-4-oxobut-2-enoyl]oxy-dibutylstannyl] 1-O-butyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

873
Patents

576.1745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.18178 220.7
[M+Na]+ 599.16372 223.0
[M+NH4]+ 594.20832 225.7
[M+K]+ 615.13766 221.5
[M-H]- 575.16722 215.5
[M+Na-2H]- 597.14917 225.3
[M]+ 576.17395 220.0
[M]- 576.17505 220.0
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