CID 16683097

Aluminate(1-), (carbonato(2-)-kappao)dihydroxy-, sodium (1:1)

Structural Information

Molecular Formula
CHAlO3
SMILES
C(=O)(O)O[Al]
InChI
InChI=1S/CH2O3.Al/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
InChIKey
WCLDIWDGSDJAOA-UHFFFAOYSA-M
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

20
Patents

87.974106 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.981382 109.8
[M+Na]+ 110.96332 118.3
[M-H]- 86.966830 109.4
[M+NH4]+ 106.00793 133.4
[M+K]+ 126.93726 119.5
[M+H-H2O]+ 70.971366 106.1
[M+HCOO]- 132.97231 133.3
[M+CH3COO]- 146.98796 157.5
[M+Na-2H]- 108.94877 117.2
[M]+ 87.973557 110.6
[M]- 87.974655 110.6
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

No patent data available for this compound.