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

58
Patents

326.24017 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24745 186.3
[M+Na]+ 349.22939 188.4
[M-H]- 325.23289 184.1
[M+NH4]+ 344.27399 201.0
[M+K]+ 365.20333 185.5
[M+H-H2O]+ 309.23743 179.1
[M+HCOO]- 371.23837 205.8
[M+CH3COO]- 385.25402 210.6
[M+Na-2H]- 347.21484 185.1
[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

patents stripe