CID 16684776

50306-58-6

Structural Information

Molecular Formula

C₁₂H₂₇AlO₃

SMILES

CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3

InChIKey

MDDPTCUZZASZIQ-UHFFFAOYSA-N

Compound name

tris[(2-methylpropan-2-yl)oxy]alumane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1560
Patents: 246.17755 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]+	247.18483	158.7
[M+Na]+	269.16677	164.4
[M-H]-	245.17027	158.9
[M+NH4]+	264.21137	177.5
[M+K]+	285.14071	165.8
[M+H-H2O]+	229.17481	154.9
[M+HCOO]-	291.17575	175.4
[M+CH3COO]-	305.19140	194.6
[M+Na-2H]-	267.15222	163.8
[M]+	246.17700	164.8
[M]-	246.17810	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe