CID 14769

Corundum

Structural Information

Molecular Formula

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: 8336
References: 244106
Patents: 101.94782 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe