CID 16684022

Tris(2,4,4-trimethylpentyl)aluminium

Structural Information

Molecular Formula
C24H51Al
SMILES
CC(CC(C)(C)C)C[Al](CC(C)CC(C)(C)C)CC(C)CC(C)(C)C
InChI
InChI=1S/3C8H17.Al/c3*1-7(2)6-8(3,4)5;/h3*7H,1,6H2,2-5H3;
InChIKey
XZIKSWMNFLIAQP-UHFFFAOYSA-N
Compound name
tris(2,4,4-trimethylpentyl)alumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1029
Patents

366.3806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.38788 198.5
[M+Na]+ 389.36982 198.9
[M-H]- 365.37332 196.9
[M+NH4]+ 384.41442 212.5
[M+K]+ 405.34376 197.3
[M+H-H2O]+ 349.37786 193.7
[M+HCOO]- 411.37880 207.8
[M+CH3COO]- 425.39445 226.8
[M+Na-2H]- 387.35527 194.0
[M]+ 366.38005 202.9
[M]- 366.38115 202.9
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