CID 32524

Boehmite

Structural Information

Molecular Formula
AlHO2
SMILES
O[Al]=O
InChI
InChI=1S/Al.H2O.O/h;1H2;/q+1;;/p-1
InChIKey
FAHBNUUHRFUEAI-UHFFFAOYSA-M
Compound name
hydroxy(oxo)alumane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

138
References

102354
Patents

59.97919 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 60.986466 102.1
[M+Na]+ 82.968408 111.3
[M-H]- 58.971914 101.8
[M+NH4]+ 78.013013 126.9
[M+K]+ 98.942348 111.9
[M+H-H2O]+ 42.976450 98.9
[M+HCOO]- 104.97739 126.7
[M+CH3COO]- 118.99304 152.4
[M+Na-2H]- 80.953856 111.4
[M]+ 59.978641 101.8
[M]- 59.979739 101.8
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