CID 134693667

Aluminum, (1,3-butanediolato(2-)-kappao1,kappao3)(ethyl 3-(oxo-kappao)butanoato-kappao')-, (t-4)-

Structural Information

Molecular Formula
C10H17AlO5
SMILES
CCOC(=O)/C=C(/C)\O[Al]1OCCC(O1)C
InChI
InChI=1S/C6H10O3.C4H8O2.Al/c1-3-9-6(8)4-5(2)7;1-4(6)2-3-5;/h4,7H,3H2,1-2H3;4H,2-3H2,1H3;/q;-2;+3/p-1/b5-4-;;
InChIKey
VLWUFHFVPVVMHY-WNCVTPEDSA-M
Compound name
ethyl (Z)-3-[(4-methyl-1,3,2-dioxaluminan-2-yl)oxy]but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08914 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09642 152.8
[M+Na]+ 267.07836 161.7
[M+NH4]+ 262.12296 158.6
[M+K]+ 283.05230 158.6
[M-H]- 243.08186 154.7
[M+Na-2H]- 265.06381 153.9
[M]+ 244.08859 154.3
[M]- 244.08969 154.3
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

No patent data available for this compound.