CID 90684450

Einecs 265-835-7

Structural Information

Molecular Formula
C14H27AlO6
SMILES
CCCCO[Al](OCCCC)OC(C(=O)C)C(=O)OCC
InChI
InChI=1S/C6H9O4.2C4H9O.Al/c1-3-10-6(9)5(8)4(2)7;2*1-2-3-4-5;/h5H,3H2,1-2H3;2*2-4H2,1H3;/q3*-1;+3
InChIKey
CVZABLJIGUYCMX-UHFFFAOYSA-N
Compound name
ethyl 2-dibutoxyalumanyloxy-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.1623 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16958 176.4
[M+Na]+ 341.15152 179.4
[M-H]- 317.15502 175.2
[M+NH4]+ 336.19612 191.1
[M+K]+ 357.12546 180.6
[M+H-H2O]+ 301.15956 169.7
[M+HCOO]- 363.16050 195.1
[M+CH3COO]- 377.17615 207.0
[M+Na-2H]- 339.13697 174.0
[M]+ 318.16175 185.9
[M]- 318.16285 185.9
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.