CID 16682963

Aluminum, tridodecyl-

Structural Information

Molecular Formula

C₃₆H₇₅Al

SMILES

CCCCCCCCCCCC[Al](CCCCCCCCCCCC)CCCCCCCCCCCC

InChI

InChI=1S/3C12H25.Al/c3*1-3-5-7-9-11-12-10-8-6-4-2;/h3*1,3-12H2,2H3;

InChIKey

XBEXIHMRFRFRAM-UHFFFAOYSA-N

Compound name

tridodecylalumane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 2171
Patents: 534.5684 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]+	535.57568	260.0
[M+Na]+	557.55762	265.7
[M-H]-	533.56112	237.8
[M+NH4]+	552.60222	256.5
[M+K]+	573.53156	267.8
[M+H-H2O]+	517.56566	247.9
[M+HCOO]-	579.56660	265.6
[M+CH3COO]-	593.58225	259.7
[M+Na-2H]-	555.54307	247.3
[M]+	534.56785	260.7
[M]-	534.56895	260.7

Literature stripe

literature stripe

Patent stripe

patents stripe