CID 16707837

Aluminum glycolate

Structural Information

Molecular Formula
C6H9AlO9
SMILES
C(C(=O)O[Al](OC(=O)CO)OC(=O)CO)O
InChI
InChI=1S/3C2H4O3.Al/c3*3-1-2(4)5;/h3*3H,1H2,(H,4,5);/q;;;+3/p-3
InChIKey
XWTXZJITNNRDLC-UHFFFAOYSA-K
Compound name
bis[(2-hydroxyacetyl)oxy]alumanyl 2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0062 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.013476 145.5
[M+Na]+ 274.995418 150.4
[M-H]- 250.998924 141.3
[M+NH4]+ 270.040023 160.2
[M+K]+ 290.969358 152.2
[M+H-H2O]+ 235.003460 139.9
[M+HCOO]- 297.004401 163.1
[M+CH3COO]- 311.020051 180.7
[M+Na-2H]- 272.980866 146.0
[M]+ 252.00565142 149.6
[M]- 252.00674858 149.6
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

No patent data available for this compound.