CID 14108

Phenethyl-trimethylammonium iodide

Structural Information

Molecular Formula

C₁₁H₁₈N

SMILES

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

InChI

InChI=1S/C11H18N/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1

InChIKey

XYUGFPLAOGMREF-UHFFFAOYSA-N

Compound name

trimethyl(2-phenylethyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 207
Patents: 164.14392 Da
Monoisotopic Mass: 2.4
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]+	165.15120	135.1
[M+Na]+	187.13314	150.1
[M+NH4]+	182.17774	146.2
[M+K]+	203.10708	143.1
[M-H]-	163.13664	140.7
[M+Na-2H]-	185.11859	145.0
[M]+	164.14337	139.4
[M]-	164.14447	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe