CID 16684013

4,4'-((dioctylstannylene)bis(oxy))bis(4-oxoisocrotonic)acid

Structural Information

Molecular Formula
C24H40O8Sn
SMILES
CCCCCCCC[Sn](OC(=O)/C=C\C(=O)O)(OC(=O)/C=C\C(=O)O)CCCCCCCC
InChI
InChI=1S/2C8H17.2C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;2*5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;2*1-2H,(H,5,6)(H,7,8);/q;;;;+2/p-2/b;;2*2-1-;
InChIKey
WNEDOMBPJDUQPS-BFIADXHOSA-L
Compound name
(Z)-4-[[(Z)-3-carboxyprop-2-enoyl]oxy-dioctylstannyl]oxy-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

978
Patents

576.1745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.181776 232.1
[M+Na]+ 599.163718 238.9
[M-H]- 575.167224 230.7
[M+NH4]+ 594.208323 239.3
[M+K]+ 615.137658 236.2
[M+H-H2O]+ 559.171760 231.4
[M+HCOO]- 621.172701 238.0
[M+CH3COO]- 635.188351 234.5
[M+Na-2H]- 597.149166 219.8
[M]+ 576.17395142 229.6
[M]- 576.17504858 229.6
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