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
4
Annotation Hits

3
References

2387
Patents

145.00815 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.015426 124.5
[M+Na]+ 167.997368 132.3
[M-H]- 144.000874 125.1
[M+NH4]+ 163.041973 146.5
[M+K]+ 183.971308 134.0
[M+H-H2O]+ 128.005410 120.0
[M+HCOO]- 190.006351 148.0
[M+CH3COO]- 204.022001 170.7
[M+Na-2H]- 165.982816 129.7
[M]+ 145.00760142 128.4
[M]- 145.00869858 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