CID 134813457

Aluminum, (2,3-dihydro-2,2-dimethyl-7-benzofuranolato-kappao1,kappao7)bis(2-propanolato)-, (t-4)-

Structural Information

Molecular Formula
C16H25AlO4
SMILES
CC(C)O[Al](OC1=CC=CC2=C1OC(C2)(C)C)OC(C)C
InChI
InChI=1S/C10H12O2.2C3H7O.Al/c1-10(2)6-7-4-3-5-8(11)9(7)12-10;2*1-3(2)4;/h3-5,11H,6H2,1-2H3;2*3H,1-2H3;/q;2*-1;+3/p-1
InChIKey
DANQRTQYCMVHGT-UHFFFAOYSA-M
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy-di(propan-2-yloxy)alumane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.15683 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16411 172.6
[M+Na]+ 331.14605 178.7
[M-H]- 307.14955 177.3
[M+NH4]+ 326.19065 191.7
[M+K]+ 347.11999 179.2
[M+H-H2O]+ 291.15409 167.3
[M+HCOO]- 353.15503 190.4
[M+CH3COO]- 367.17068 205.7
[M+Na-2H]- 329.13150 173.5
[M]+ 308.15628 179.1
[M]- 308.15738 179.1
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.