CID 199112

Phenethylamine, n-methoxy-alpha-methyl-, hydrochloride, (+-)-

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC(CC1=CC=CC=C1)NOC

InChI

InChI=1S/C10H15NO/c1-9(11-12-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3

InChIKey

REIPDEIPEOYEDO-UHFFFAOYSA-N

Compound name

N-methoxy-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 167
Patents: 165.11537 Da
Monoisotopic Mass: 2.1
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]+	166.122646	136.4
[M+Na]+	188.104588	142.2
[M-H]-	164.108094	139.8
[M+NH4]+	183.149193	156.6
[M+K]+	204.078528	141.0
[M+H-H2O]+	148.112630	130.2
[M+HCOO]-	210.113571	160.9
[M+CH3COO]-	224.129221	182.0
[M+Na-2H]-	186.090036	143.1
[M]+	165.11482142	136.7
[M]-	165.11591858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe