CID 102601910

Aluminum, [ethyl 3-(oxo-.kappa.o)butanoato-.kappa.o']bis(2-propanolato)-, (t-4)-

Structural Information

Molecular Formula
C12H23AlO5
SMILES
CCOC(=O)/C=C(/C)\O[Al](OC(C)C)OC(C)C
InChI
InChI=1S/C6H10O3.2C3H7O.Al/c1-3-9-6(8)4-5(2)7;2*1-3(2)4;/h4,7H,3H2,1-2H3;2*3H,1-2H3;/q;2*-1;+3/p-1/b5-4-;;;
InChIKey
MQQXUGFEQSCYIA-OAWHIZORSA-M
Compound name
ethyl (Z)-3-di(propan-2-yloxy)alumanyloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

274.13608 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14336 164.6
[M+Na]+ 297.12530 168.5
[M-H]- 273.12880 164.0
[M+NH4]+ 292.16990 181.2
[M+K]+ 313.09924 170.1
[M+H-H2O]+ 257.13334 158.7
[M+HCOO]- 319.13428 182.8
[M+CH3COO]- 333.14993 199.4
[M+Na-2H]- 295.11075 161.9
[M]+ 274.13553 171.1
[M]- 274.13663 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.