CID 16683018

Aluminum lactate

Structural Information

Molecular Formula
C9H15AlO9
SMILES
CC(C(=O)O[Al](OC(=O)C(C)O)OC(=O)C(C)O)O
InChI
InChI=1S/3C3H6O3.Al/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3
InChIKey
VXYADVIJALMOEQ-UHFFFAOYSA-K
Compound name
bis(2-hydroxypropanoyloxy)alumanyl 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

71
References

13806
Patents

294.05313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06041 158.4
[M+Na]+ 317.04235 161.5
[M-H]- 293.04585 154.0
[M+NH4]+ 312.08695 179.3
[M+K]+ 333.01629 164.5
[M+H-H2O]+ 277.05039 153.0
[M+HCOO]- 339.05133 172.2
[M+CH3COO]- 353.06698 192.8
[M+Na-2H]- 315.02780 153.9
[M]+ 294.05258 161.8
[M]- 294.05368 161.8
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