CID 117067863

Methoxmetamine

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CNC1(CCCCC1=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C14H19NO2/c1-15-14(9-4-3-8-13(14)16)11-6-5-7-12(10-11)17-2/h5-7,10,15H,3-4,8-9H2,1-2H3

InChIKey

ZGQWDAOLJNAADS-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)-2-(methylamino)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 233.14159 Da
Monoisotopic Mass: 1.5
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]+	234.148866	152.7
[M+Na]+	256.130808	158.5
[M-H]-	232.134314	159.0
[M+NH4]+	251.175413	172.1
[M+K]+	272.104748	155.9
[M+H-H2O]+	216.138850	145.9
[M+HCOO]-	278.139791	174.5
[M+CH3COO]-	292.155441	193.0
[M+Na-2H]-	254.116256	157.9
[M]+	233.14104142	150.1
[M]-	233.14213858	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe