CID 16684000

Aluminum, (octadecanoato-kappao)oxo-

Structural Information

Molecular Formula
C18H35AlO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[Al]=O
InChI
InChI=1S/C18H36O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);;/q;+1;/p-1
InChIKey
PKPWVTWTIKKOMC-UHFFFAOYSA-M
Compound name
oxoalumanyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

326.24017 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24745 184.3
[M+Na]+ 349.22939 191.5
[M+NH4]+ 344.27399 189.0
[M+K]+ 365.20333 183.6
[M-H]- 325.23289 182.1
[M+Na-2H]- 347.21484 183.9
[M]+ 326.23962 184.3
[M]- 326.24072 184.3
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