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]+ 327.247446 187.0
[M+Na]+ 349.229388 189.0
[M-H]- 325.232894 184.9
[M+NH4]+ 344.273993 201.7
[M+K]+ 365.203328 186.4
[M+H-H2O]+ 309.237430 179.9
[M+HCOO]- 371.238371 205.6
[M+CH3COO]- 385.254021 211.3
[M+Na-2H]- 347.214836 184.5
[M]+ 326.23962142 194.8
[M]- 326.24071858 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.