CID 16684074

56639-51-1

Structural Information

Molecular Formula
C28H54AlO4
SMILES
CCCCCCCCCCCCCC(=O)O[Al]OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/2C14H28O2.Al/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);/q;;+2/p-2
InChIKey
BYCYVQGHIOGDNG-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

481.38376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.39104 233.4
[M+Na]+ 504.37298 234.6
[M+NH4]+ 499.41758 233.8
[M+K]+ 520.34692 232.9
[M-H]- 480.37648 219.0
[M+Na-2H]- 502.35843 234.1
[M]+ 481.38321 229.5
[M]- 481.38431 229.5
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.