CID 16684117

Basaljel

Structural Information

Molecular Formula
CAl2O3
SMILES
C(=O)(O[Al])O[Al]
InChI
InChI=1S/CH2O3.2Al/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
InChIKey
USVOJVRYEMHMBJ-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

1
Patents

113.94782 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.95510 114.7
[M+Na]+ 136.93704 123.3
[M-H]- 112.94054 115.6
[M+NH4]+ 131.98164 138.5
[M+K]+ 152.91098 125.3
[M+H-H2O]+ 96.945080 110.6
[M+HCOO]- 158.94602 139.4
[M+CH3COO]- 172.96167 162.6
[M+Na-2H]- 134.92249 122.1
[M]+ 113.94727 117.7
[M]- 113.94837 117.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe