CID 3064401

Phenethylamine, n,n-dimethyl-4-methoxy-3-methyl-, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CC1=C(C=CC(=C1)CCN(C)C)OC

InChI

InChI=1S/C12H19NO/c1-10-9-11(7-8-13(2)3)5-6-12(10)14-4/h5-6,9H,7-8H2,1-4H3

InChIKey

FNWVODZYQWVHHP-UHFFFAOYSA-N

Compound name

2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 193.14667 Da
Monoisotopic Mass: 2.6
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]+	194.153946	144.1
[M+Na]+	216.135888	151.4
[M-H]-	192.139394	149.3
[M+NH4]+	211.180493	164.6
[M+K]+	232.109828	150.7
[M+H-H2O]+	176.143930	137.8
[M+HCOO]-	238.144871	169.5
[M+CH3COO]-	252.160521	193.1
[M+Na-2H]-	214.121336	148.9
[M]+	193.14612142	147.9
[M]-	193.14721858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.