CID 16684285

30745-55-2

Structural Information

Molecular Formula

C₁₆H₃₀AlO₄

SMILES

CCCCC(CC)C(=O)O[Al]OC(=O)C(CC)CCCC

InChI

InChI=1S/2C8H16O2.Al/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2

InChIKey

AGKNJVUDCVNJSY-UHFFFAOYSA-L

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 313.19595 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.20323	177.9
[M+Na]+	336.18517	184.1
[M+NH4]+	331.22977	182.1
[M+K]+	352.15911	179.7
[M-H]-	312.18867	174.6
[M+Na-2H]-	334.17062	176.6
[M]+	313.19540	177.3
[M]-	313.19650	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.