CID 16685055

70504-56-2

Structural Information

Molecular Formula
C9H21AlO3
SMILES
CC(C)O[Al](OC(C)C)OC(C)C
InChI
InChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKey
SMZOGRDCAXLAAR-UHFFFAOYSA-N
Compound name
tri(propan-2-yloxy)alumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2190
Patents

204.13062 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13790 148.6
[M+Na]+ 227.11984 153.3
[M-H]- 203.12334 148.4
[M+NH4]+ 222.16444 168.2
[M+K]+ 243.09378 155.3
[M+H-H2O]+ 187.12788 143.3
[M+HCOO]- 249.12882 167.8
[M+CH3COO]- 263.14447 188.8
[M+Na-2H]- 225.10529 148.4
[M]+ 204.13007 153.2
[M]- 204.13117 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe