CID 31281

Mecetronium

Structural Information

Molecular Formula

C₂₀H₄₄N

SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC

InChI

InChI=1S/C20H44N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2/h5-20H2,1-4H3/q+1

InChIKey

VCAVAURZPNANDQ-UHFFFAOYSA-N

Compound name

ethyl-hexadecyl-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 43
References: 8137
Patents: 298.34738 Da
Monoisotopic Mass: 8.4
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]+	299.35466	182.1
[M+Na]+	321.33660	192.2
[M+NH4]+	316.38120	190.3
[M+K]+	337.31054	183.5
[M-H]-	297.34010	184.4
[M+Na-2H]-	319.32205	185.2
[M]+	298.34683	184.6
[M]-	298.34793	184.6

Literature stripe

literature stripe

Patent stripe

patents stripe