CID 16701756

Q27258720

Structural Information

Molecular Formula
C24H45AlO6
SMILES
CCCCCCCC(=O)O[Al](OC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/3C8H16O2.Al/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3
InChIKey
VAROLYSFQDGFMV-UHFFFAOYSA-K
Compound name
di(octanoyloxy)alumanyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.30316 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.31044 221.3
[M+Na]+ 479.29238 229.4
[M-H]- 455.29588 214.8
[M+NH4]+ 474.33698 228.6
[M+K]+ 495.26632 226.4
[M+H-H2O]+ 439.30042 224.7
[M+HCOO]- 501.30136 227.7
[M+CH3COO]- 515.31701 233.9
[M+Na-2H]- 477.27783 211.0
[M]+ 456.30261 222.4
[M]- 456.30371 222.4
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

No patent data available for this compound.