CID 16682964

Trihexadecylaluminium

Structural Information

Molecular Formula

C₄₈H₉₉Al

SMILES

CCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

InChI

InChI=1S/3C16H33.Al/c3*1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h3*1,3-16H2,2H3;

InChIKey

NHADXUOUFVKVEB-UHFFFAOYSA-N

Compound name

trihexadecylalumane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 277
Patents: 702.7562 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]+	703.76348	299.9
[M+Na]+	725.74542	303.5
[M-H]-	701.74892	273.2
[M+NH4]+	720.79002	296.2
[M+K]+	741.71936	310.6
[M+H-H2O]+	685.75346	297.4
[M+HCOO]-	747.75440	301.2
[M+CH3COO]-	761.77005	292.4
[M+Na-2H]-	723.73087	277.9
[M]+	702.75565	299.7
[M]-	702.75675	299.7

Literature stripe

literature stripe

Patent stripe

patents stripe