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

92959
Patents

198.19281 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.200086 153.1
[M+Na]+ 221.182028 156.6
[M-H]- 197.185534 152.5
[M+NH4]+ 216.226633 173.2
[M+K]+ 237.155968 156.4
[M+H-H2O]+ 181.190070 148.0
[M+HCOO]- 243.191011 170.6
[M+CH3COO]- 257.206661 192.1
[M+Na-2H]- 219.167476 151.4
[M]+ 198.19226142 154.5
[M]- 198.19335858 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