CID 14769

Emery

Structural Information

Molecular Formula
Al2O3
SMILES
O=[Al]O[Al]=O
InChI
InChI=1S/2Al.3O
InChIKey
TWNQGVIAIRXVLR-UHFFFAOYSA-N
Compound name
oxo(oxoalumanyloxy)alumane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8317
References

241004
Patents

101.94782 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.95510 108.5
[M+Na]+ 124.93704 117.9
[M-H]- 100.94054 109.3
[M+NH4]+ 119.98164 132.7
[M+K]+ 140.91098 119.0
[M+H-H2O]+ 84.945080 104.5
[M+HCOO]- 146.94602 134.6
[M+CH3COO]- 160.96167 159.3
[M+Na-2H]- 122.92249 117.7
[M]+ 101.94727 111.3
[M]- 101.94837 111.3
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