CID 12713022

[(3,5-dimethoxyphenyl)methyl](methyl)amine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CNCC1=CC(=CC(=C1)OC)OC

InChI

InChI=1S/C10H15NO2/c1-11-7-8-4-9(12-2)6-10(5-8)13-3/h4-6,11H,7H2,1-3H3

InChIKey

AZLYFFWKOFXIRJ-UHFFFAOYSA-N

Compound name

1-(3,5-dimethoxyphenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
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]+	182.117556	138.1
[M+Na]+	204.099498	146.1
[M-H]-	180.103004	142.2
[M+NH4]+	199.144103	158.4
[M+K]+	220.073438	145.0
[M+H-H2O]+	164.107540	132.1
[M+HCOO]-	226.108481	163.9
[M+CH3COO]-	240.124131	185.5
[M+Na-2H]-	202.084946	144.7
[M]+	181.10973142	141.3
[M]-	181.11082858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe