CID 16684308

Aluminum di-sec-butoxide stearate

Structural Information

Molecular Formula
C26H53AlO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[Al](OC(C)CC)OC(C)CC
InChI
InChI=1S/C18H36O2.2C4H9O.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4(2)5;/h2-17H2,1H3,(H,19,20);2*4H,3H2,1-2H3;/q;2*-1;+3/p-1
InChIKey
UKPSOCFORRGEQY-UHFFFAOYSA-M
Compound name
di(butan-2-yloxy)alumanyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.37592 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.38320 227.4
[M+Na]+ 479.36514 235.1
[M-H]- 455.36864 217.3
[M+NH4]+ 474.40974 232.6
[M+K]+ 495.33908 233.9
[M+H-H2O]+ 439.37318 219.7
[M+HCOO]- 501.37412 231.3
[M+CH3COO]- 515.38977 238.7
[M+Na-2H]- 477.35059 219.2
[M]+ 456.37537 228.8
[M]- 456.37647 228.8
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

patents stripe