CID 16684167

Aluminum, (isooctanolato)bis(2-propanolato)-

Structural Information

Molecular Formula
C14H31AlO3
SMILES
CC(C)CCCCCO[Al](OC(C)C)OC(C)C
InChI
InChI=1S/C8H17O.2C3H7O.Al/c1-8(2)6-4-3-5-7-9;2*1-3(2)4;/h8H,3-7H2,1-2H3;2*3H,1-2H3;/q3*-1;+3
InChIKey
LBNITQHBOXSHIU-UHFFFAOYSA-N
Compound name
6-methylheptoxy-di(propan-2-yloxy)alumane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

274.20886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21614 172.4
[M+Na]+ 297.19808 174.9
[M-H]- 273.20158 171.2
[M+NH4]+ 292.24268 189.1
[M+K]+ 313.17202 175.7
[M+H-H2O]+ 257.20612 166.1
[M+HCOO]- 319.20706 189.9
[M+CH3COO]- 333.22271 203.6
[M+Na-2H]- 295.18353 169.4
[M]+ 274.20831 178.9
[M]- 274.20941 178.9
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.