CID 216281

Methoxyphedrine

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(C(=O)C1=CC=C(C=C1)OC)NC

InChI

InChI=1S/C11H15NO2/c1-8(12-2)11(13)9-4-6-10(14-3)7-5-9/h4-8,12H,1-3H3

InChIKey

MQUIHBQDYYAEMH-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-2-(methylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 373
Patents: 193.11028 Da
Monoisotopic Mass: 1.6
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]+	194.11756	142.7
[M+Na]+	216.09950	149.0
[M-H]-	192.10300	146.4
[M+NH4]+	211.14410	161.9
[M+K]+	232.07344	148.0
[M+H-H2O]+	176.10754	136.5
[M+HCOO]-	238.10848	166.3
[M+CH3COO]-	252.12413	188.2
[M+Na-2H]-	214.08495	146.9
[M]+	193.10973	143.9
[M]-	193.11083	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe