CID 16682931

Triisobutylaluminum

Structural Information

Molecular Formula
C12H27Al
SMILES
CC(C)C[Al](CC(C)C)CC(C)C
InChI
InChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*4H,1H2,2-3H3;
InChIKey
MCULRUJILOGHCJ-UHFFFAOYSA-N
Compound name
tris(2-methylpropyl)alumane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

77311
Patents

198.19281 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.20009 153.1
[M+Na]+ 221.18203 156.6
[M-H]- 197.18553 152.5
[M+NH4]+ 216.22663 173.2
[M+K]+ 237.15597 156.4
[M+H-H2O]+ 181.19007 148.0
[M+HCOO]- 243.19101 170.6
[M+CH3COO]- 257.20666 192.1
[M+Na-2H]- 219.16748 151.4
[M]+ 198.19226 154.5
[M]- 198.19336 154.5
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