CID 16684095

Aluminum methionate

Structural Information

Molecular Formula
C3H6Al2O18S6
SMILES
C1S(=O)(=O)O[Al]2OS(=O)(=O)CS(=O)(=O)O[Al](OS1(=O)=O)OS(=O)(=O)CS(=O)(=O)O2
InChI
InChI=1S/3CH4O6S2.2Al/c3*2-8(3,4)1-9(5,6)7;;/h3*1H2,(H,2,3,4)(H,5,6,7);;/q;;;2*+3/p-6
InChIKey
NMTQHSJCFMAVNA-UHFFFAOYSA-H
Compound name
2,6,8,12,13,17-hexaoxa-3lambda6,5lambda6,9lambda6,11lambda6,14lambda6,16lambda6-hexathia-1,7-dialuminabicyclo[5.5.5]heptadecane 3,3,5,5,9,9,11,11,14,14,16,16-dodecaoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

575.7509 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.75818 220.4
[M+Na]+ 598.74012 222.9
[M+NH4]+ 593.78472 220.8
[M+K]+ 614.71406 228.2
[M-H]- 574.74362 215.9
[M+Na-2H]- 596.72557 237.5
[M]+ 575.75035 219.0
[M]- 575.75145 219.0
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