CID 16683075

Butyl (z,z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate

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 236.8
[M+Na]+ 599.16372 245.8
[M-H]- 575.16722 236.6
[M+NH4]+ 594.20832 248.7
[M+K]+ 615.13766 242.8
[M+H-H2O]+ 559.17176 238.6
[M+HCOO]- 621.17270 246.3
[M+CH3COO]- 635.18835 237.7
[M+Na-2H]- 597.14917 225.9
[M]+ 576.17395 236.9
[M]- 576.17505 236.9
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