CID 171039534

Aluplex

Structural Information

Molecular Formula
C25H41AlO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[AlH]OC(=O)C1=CC=CC=C1
InChI
InChI=1S/C18H36O2.C7H6O2.Al.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-7(9)6-4-2-1-3-5-6;;/h2-17H2,1H3,(H,19,20);1-5H,(H,8,9);;/q;;+2;/p-2
InChIKey
WZLKHRSOJRWRPO-UHFFFAOYSA-L
Compound name
octadecanoyloxyalumanyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.282 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.28928 212.1
[M+Na]+ 455.27122 220.0
[M+NH4]+ 450.31582 216.2
[M+K]+ 471.24516 211.4
[M-H]- 431.27472 211.7
[M+Na-2H]- 453.25667 213.5
[M]+ 432.28145 212.8
[M]- 432.28255 212.8
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.