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
2
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 153.5
[M+Na]+ 267.07836 158.0
[M-H]- 243.08186 157.4
[M+NH4]+ 262.12296 168.6
[M+K]+ 283.05230 160.4
[M+H-H2O]+ 227.08640 147.2
[M+HCOO]- 289.08734 170.7
[M+CH3COO]- 303.10299 189.0
[M+Na-2H]- 265.06381 156.6
[M]+ 244.08859 155.9
[M]- 244.08969 155.9
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

No patent data available for this compound.