CID 133670

6-hydroxyketamine

Structural Information

Molecular Formula

C₁₃H₁₆ClNO₂

SMILES

CNC1(CCCC(C1=O)O)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H16ClNO2/c1-15-13(8-4-7-11(16)12(13)17)9-5-2-3-6-10(9)14/h2-3,5-6,11,15-16H,4,7-8H2,1H3

InChIKey

WAXHSFGMMWDOAE-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-6-hydroxy-2-(methylamino)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 38
Patents: 253.08696 Da
Monoisotopic Mass: 1.6
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]+	254.09424	154.5
[M+Na]+	276.07618	167.3
[M+NH4]+	271.12078	164.7
[M+K]+	292.05012	158.2
[M-H]-	252.07968	158.8
[M+Na-2H]-	274.06163	163.0
[M]+	253.08641	157.9
[M]-	253.08751	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe