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

613
Patents

576.1745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.18178 232.1
[M+Na]+ 599.16372 238.9
[M-H]- 575.16722 230.7
[M+NH4]+ 594.20832 239.3
[M+K]+ 615.13766 236.2
[M+H-H2O]+ 559.17176 231.4
[M+HCOO]- 621.17270 238.0
[M+CH3COO]- 635.18835 234.5
[M+Na-2H]- 597.14917 219.8
[M]+ 576.17395 229.6
[M]- 576.17505 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