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

66
Patents

326.24017 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.247446 186.3
[M+Na]+ 349.229388 188.4
[M-H]- 325.232894 184.1
[M+NH4]+ 344.273993 201.0
[M+K]+ 365.203328 185.5
[M+H-H2O]+ 309.237430 179.1
[M+HCOO]- 371.238371 205.8
[M+CH3COO]- 385.254021 210.6
[M+Na-2H]- 347.214836 185.1
[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

patents stripe