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
5
Annotation Hits

16
References

16157
Patents

324.11536 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12264 167.0
[M+Na]+ 347.10458 169.9
[M-H]- 323.10808 166.4
[M+NH4]+ 342.14918 194.3
[M+K]+ 363.07852 171.7
[M+H-H2O]+ 307.11262 162.1
[M+HCOO]- 369.11356 174.7
[M+CH3COO]- 383.12921 213.2
[M+Na-2H]- 345.09003 158.1
[M]+ 324.11481 170.6
[M]- 324.11591 170.6
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