CID 16682994

Bis(acetato-o)hydroxyaluminium

Structural Information

Molecular Formula
C4H6AlO4
SMILES
CC(=O)O[Al]OC(=O)C
InChI
InChI=1S/2C2H4O2.Al/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey
WFWGHTHPSMLCFS-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1131
Patents

145.00815 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.01543 124.5
[M+Na]+ 167.99737 132.3
[M-H]- 144.00087 125.1
[M+NH4]+ 163.04197 146.5
[M+K]+ 183.97131 134.0
[M+H-H2O]+ 128.00541 120.0
[M+HCOO]- 190.00635 148.0
[M+CH3COO]- 204.02200 170.7
[M+Na-2H]- 165.98282 129.7
[M]+ 145.00760 128.4
[M]- 145.00870 128.4
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