CID 73556097

Aluminum, (isooctadecanoato-kappao)oxo-

Structural Information

Molecular Formula
C18H35AlO3
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)O[Al]=O
InChI
InChI=1S/C18H36O2.Al.O/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;;/h17H,3-16H2,1-2H3,(H,19,20);;/q;+1;/p-1
InChIKey
PWNDKGBOCIZCPA-UHFFFAOYSA-M
Compound name
oxoalumanyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

326.24017 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24745 187.0
[M+Na]+ 349.22939 189.0
[M-H]- 325.23289 184.9
[M+NH4]+ 344.27399 201.7
[M+K]+ 365.20333 186.4
[M+H-H2O]+ 309.23743 179.9
[M+HCOO]- 371.23837 205.6
[M+CH3COO]- 385.25402 211.3
[M+Na-2H]- 347.21484 184.5
[M]+ 326.23962 194.8
[M]- 326.24072 194.8
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

No patent data available for this compound.