CID 16684067

Einecs 260-059-5

Structural Information

Molecular Formula
C19H37AlO5
SMILES
CCCCC(CC)C(=O)O[Al](OCCC)OC(=O)C(CC)CCCC
InChI
InChI=1S/2C8H16O2.C3H7O.Al/c2*1-3-5-6-7(4-2)8(9)10;1-2-3-4;/h2*7H,3-6H2,1-2H3,(H,9,10);2-3H2,1H3;/q;;-1;+3/p-2
InChIKey
UOVYCPPGYLHLMN-UHFFFAOYSA-L
Compound name
[2-ethylhexanoyloxy(propoxy)alumanyl] 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.24564 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.25292 192.8
[M+Na]+ 395.23486 197.5
[M+NH4]+ 390.27946 209.5
[M+K]+ 411.20880 193.9
[M-H]- 371.23836 188.6
[M+Na-2H]- 393.22031 190.0
[M]+ 372.24509 191.6
[M]- 372.24619 191.6
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.