CID 16702007

Tris(acetylacetonate) aluminum(iii)

Structural Information

Molecular Formula
C15H21AlO6
SMILES
CC(=O)C(C(=O)C)[Al](C(C(=O)C)C(=O)C)C(C(=O)C)C(=O)C
InChI
InChI=1S/3C5H7O2.Al/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;
InChIKey
XBIUWALDKXACEA-UHFFFAOYSA-N
Compound name
3-[bis(2,4-dioxopentan-3-yl)alumanyl]pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

16142
Patents

324.11536 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12264 169.2
[M+Na]+ 347.10458 172.7
[M+NH4]+ 342.14918 192.5
[M+K]+ 363.07852 185.6
[M-H]- 323.10808 187.5
[M+Na-2H]- 345.09003 165.3
[M]+ 324.11481 166.9
[M]- 324.11591 166.9
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

patents stripe