CID 52911279

Methoxetamine

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CCNC1(CCCCC1=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C15H21NO2/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2/h6-8,11,16H,3-5,9-10H2,1-2H3

InChIKey

LPKTWLVEGBNOOX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 80
References: 631
Patents: 247.15723 Da
Monoisotopic Mass: 2.3
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]+	248.16451	157.2
[M+Na]+	270.14645	162.5
[M-H]-	246.14995	163.3
[M+NH4]+	265.19105	176.0
[M+K]+	286.12039	159.8
[M+H-H2O]+	230.15449	150.2
[M+HCOO]-	292.15543	178.6
[M+CH3COO]-	306.17108	196.0
[M+Na-2H]-	268.13190	161.9
[M]+	247.15668	154.9
[M]-	247.15778	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe