CID 73557512

Ns00080014

Structural Information

Molecular Formula
C24H46AlO4
SMILES
CCCCCCCCCCCC(=O)O[Al]OC(=O)CCCCCCCCCCC
InChI
InChI=1S/2C12H24O2.Al/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2
InChIKey
KZAXUQIVRHHZLP-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.32114 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.328416 216.4
[M+Na]+ 448.310358 215.8
[M-H]- 424.313864 213.1
[M+NH4]+ 443.354963 221.0
[M+K]+ 464.284298 212.4
[M+H-H2O]+ 408.318400 208.0
[M+HCOO]- 470.319341 228.8
[M+CH3COO]- 484.334991 230.0
[M+Na-2H]- 446.295806 210.9
[M]+ 425.32059142 227.8
[M]- 425.32168858 227.8
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.