CID 73456717

Diisopropoxy(2,4-pentanedionato)aluminum

Structural Information

Molecular Formula
C11H21AlO4
SMILES
CC(C)O[Al](C(C(=O)C)C(=O)C)OC(C)C
InChI
InChI=1S/C5H7O2.2C3H7O.Al/c1-4(6)3-5(2)7;2*1-3(2)4;/h3H,1-2H3;2*3H,1-2H3;/q;2*-1;+2
InChIKey
ZZSKJAZUZNNTNN-UHFFFAOYSA-N
Compound name
3-di(propan-2-yloxy)alumanylpentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12552 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13280 156.1
[M+Na]+ 267.11474 160.1
[M-H]- 243.11824 155.7
[M+NH4]+ 262.15934 173.7
[M+K]+ 283.08868 161.9
[M+H-H2O]+ 227.12278 150.8
[M+HCOO]- 289.12372 173.4
[M+CH3COO]- 303.13937 196.8
[M+Na-2H]- 265.10019 152.7
[M]+ 244.12497 160.3
[M]- 244.12607 160.3
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

patents stripe