CID 46856263

Beta-methoxysynephrine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

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

InChI

InChI=1S/C10H15NO2/c1-11-7-10(13-2)8-3-5-9(12)6-4-8/h3-6,10-12H,7H2,1-2H3

InChIKey

LVZUJPSBCGHXGZ-UHFFFAOYSA-N

Compound name

4-[1-methoxy-2-(methylamino)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.11028 Da
Monoisotopic Mass: -0.1
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]+	182.11756	139.7
[M+Na]+	204.09950	150.7
[M+NH4]+	199.14410	147.6
[M+K]+	220.07344	145.1
[M-H]-	180.10300	141.6
[M+Na-2H]-	202.08495	145.8
[M]+	181.10973	141.6
[M]-	181.11083	141.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.