CID 16684006

14236-50-1

Structural Information

Molecular Formula
C32H62AlO4
SMILES
CCCCCCCCCCCCCCCC(=O)O[Al]OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/2C16H32O2.Al/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2
InChIKey
OLDQVTSDRSAZQC-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.44635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.453626 247.7
[M+Na]+ 560.435568 253.8
[M-H]- 536.439074 232.8
[M+NH4]+ 555.480173 249.7
[M+K]+ 576.409508 253.6
[M+H-H2O]+ 520.443610 248.5
[M+HCOO]- 582.444551 254.6
[M+CH3COO]- 596.460201 252.9
[M+Na-2H]- 558.421016 232.8
[M]+ 537.44580142 248.1
[M]- 537.44689858 248.1
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.