CID 46884

Beta-phenylethyltriethylammonium iodide

Structural Information

Molecular Formula

C₁₄H₂₄N

SMILES

CC[N+](CC)(CC)CCC1=CC=CC=C1

InChI

InChI=1S/C14H24N/c1-4-15(5-2,6-3)13-12-14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3/q+1

InChIKey

YUVLMFPCTVORNC-UHFFFAOYSA-N

Compound name

triethyl(2-phenylethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 206.19087 Da
Monoisotopic Mass: 3.3
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]+	207.19815	148.9
[M+Na]+	229.18009	163.2
[M+NH4]+	224.22469	159.5
[M+K]+	245.15403	155.5
[M-H]-	205.18359	154.4
[M+Na-2H]-	227.16554	157.9
[M]+	206.19032	153.1
[M]-	206.19142	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe