Metabolite 5-Hydroxynorketamine

Name

5-Hydroxynorketamine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 239.698
Monoisotopic: 239.071306404

Chemical Formula

C₁₂H₁₄ClNO₂

InChI Key

JNIMTHZVAYLUSL-UHFFFAOYSA-N

InChI

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

IUPAC Name

2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one

SMILES

NC1(CCC(O)CC1=O)C1=CC=CC=C1Cl

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0596-0090000000-881447b4e647aec4b148
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fu-0390000000-b1c52e98698c26926cc1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-bca4c431a605931cbb5d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00ri-1590000000-ae0ce73f4662eed8e2ed
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f79-0900000000-f31ed3cf873baf1b7e52
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9300000000-2cbf09f79441b9ff951f

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	150.26466	predicted	DeepCCS 1.0 (2019)
[M+H]+	152.62267	predicted	DeepCCS 1.0 (2019)
[M+Na]+	158.99657	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties