Metabolite 6-Hydroxynorketamine

Name

6-Hydroxynorketamine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

6VAD9SC8NW

CAS number

Not Available

Weight

Average: 239.698
Monoisotopic: 239.071306404

Chemical Formula

C₁₂H₁₄ClNO₂

InChI Key

CFBVGSWSOJBYGC-UHFFFAOYSA-N

InChI

InChI=1S/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2

IUPAC Name

2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one

SMILES

NC1(CCCC(O)C1=O)C1=CC=CC=C1Cl

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-006x-0090000000-f77c6529713042f0a5b4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-3ea917bd8548c1ff491a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0abc-0290000000-d69e7195999cec74fdb0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001r-8890000000-1807d57f14cc170f6811
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0iki-0920000000-1a100291082c286de5fc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05ai-9600000000-765516afeabaac252e9b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	149.93958	predicted	DeepCCS 1.0 (2019)
[M+H]+	152.29758	predicted	DeepCCS 1.0 (2019)
[M+Na]+	158.65527	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties