CID 16683988

(z)-(octadec-9-enoato-o)oxoaluminium

Structural Information

Molecular Formula
C18H33AlO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[Al]=O
InChI
InChI=1S/C18H34O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;/q;+1;/p-1/b10-9-;;
InChIKey
AUXUFGOTIZTYEM-XXAVUKJNSA-M
Compound name
oxoalumanyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.23180 183.6
[M+Na]+ 347.21374 190.9
[M+NH4]+ 342.25834 188.1
[M+K]+ 363.18768 182.9
[M-H]- 323.21724 181.1
[M+Na-2H]- 345.19919 183.2
[M]+ 324.22397 183.5
[M]- 324.22507 183.5
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.