CID 40888

Alpha-phenylethyl-trimethylammonium iodide

Structural Information

Molecular Formula

C₁₁H₁₈N

SMILES

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

InChI

InChI=1S/C11H18N/c1-10(12(2,3)4)11-8-6-5-7-9-11/h5-10H,1-4H3/q+1

InChIKey

RLGJGURRNUODBC-UHFFFAOYSA-N

Compound name

trimethyl(1-phenylethyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 247
Patents: 164.14392 Da
Monoisotopic Mass: 2.2
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	134.5
[M+Na]+	187.13314	140.8
[M-H]-	163.13664	139.8
[M+NH4]+	182.17774	155.7
[M+K]+	203.10708	134.6
[M+H-H2O]+	147.14118	131.8
[M+HCOO]-	209.14212	158.0
[M+CH3COO]-	223.15777	179.6
[M+Na-2H]-	185.11859	144.3
[M]+	164.14337	133.6
[M]-	164.14447	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe