CID 137857

3,5-dimethoxyphenethylamine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

COC1=CC(=CC(=C1)CCN)OC

InChI

InChI=1S/C10H15NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3-4,11H2,1-2H3

InChIKey

ZHSFEDDRTVLPHH-UHFFFAOYSA-N

Compound name

2-(3,5-dimethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 367
Patents: 181.11028 Da
Monoisotopic Mass: 1.2
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]+	182.11756	138.7
[M+Na]+	204.09950	146.7
[M-H]-	180.10300	142.3
[M+NH4]+	199.14410	158.7
[M+K]+	220.07344	145.2
[M+H-H2O]+	164.10754	132.7
[M+HCOO]-	226.10848	163.9
[M+CH3COO]-	240.12413	184.8
[M+Na-2H]-	202.08495	144.2
[M]+	181.10973	140.9
[M]-	181.11083	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe