CID 16682948

Trioctylaluminum

Structural Information

Molecular Formula

C₂₄H₅₁Al

SMILES

CCCCCCCC[Al](CCCCCCCC)CCCCCCCC

InChI

InChI=1S/3C8H17.Al/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3;

InChIKey

LFXVBWRMVZPLFK-UHFFFAOYSA-N

Compound name

trioctylalumane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 33262
Patents: 366.3806 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	367.38788	207.2
[M+Na]+	389.36982	206.2
[M-H]-	365.37332	203.8
[M+NH4]+	384.41442	220.5
[M+K]+	405.34376	201.4
[M+H-H2O]+	349.37786	199.2
[M+HCOO]-	411.37880	223.5
[M+CH3COO]-	425.39445	225.2
[M+Na-2H]-	387.35527	202.6
[M]+	366.38005	215.0
[M]-	366.38115	215.0

Literature stripe

literature stripe

Patent stripe

patents stripe