CID 16682951

Aluminum, trihexyl-

Structural Information

Molecular Formula

C₁₈H₃₉Al

SMILES

CCCCCC[Al](CCCCCC)CCCCCC

InChI

InChI=1S/3C6H13.Al/c3*1-3-5-6-4-2;/h3*1,3-6H2,2H3;

InChIKey

ORYGRKHDLWYTKX-UHFFFAOYSA-N

Compound name

trihexylalumane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 40026
Patents: 282.2867 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]+	283.29398	180.4
[M+Na]+	305.27592	182.0
[M-H]-	281.27942	178.3
[M+NH4]+	300.32052	197.2
[M+K]+	321.24986	178.8
[M+H-H2O]+	265.28396	173.7
[M+HCOO]-	327.28490	198.8
[M+CH3COO]-	341.30055	207.5
[M+Na-2H]-	303.26137	179.1
[M]+	282.28615	186.0
[M]-	282.28725	186.0

Literature stripe

literature stripe

Patent stripe

patents stripe