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

827
Patents

576.1745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.181776 236.8
[M+Na]+ 599.163718 245.8
[M-H]- 575.167224 236.6
[M+NH4]+ 594.208323 248.7
[M+K]+ 615.137658 242.8
[M+H-H2O]+ 559.171760 238.6
[M+HCOO]- 621.172701 246.3
[M+CH3COO]- 635.188351 237.7
[M+Na-2H]- 597.149166 225.9
[M]+ 576.17395142 236.9
[M]- 576.17504858 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