Metabolite 3-OH-PPX

Name

3-OH-PPX

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

2HDS38BFC1

CAS number

Not Available

Weight

Average: 248.326
Monoisotopic: 248.152477892

Chemical Formula

C₁₄H₂₀N₂O₂

InChI Key

CVZXIWSYOWTQAS-NSHDSACASA-N

InChI

InChI=1S/C14H20N2O2/c1-9-6-7-12(17)10(2)13(9)16-14(18)11-5-3-4-8-15-11/h6-7,11,15,17H,3-5,8H2,1-2H3,(H,16,18)/t11-/m0/s1

IUPAC Name

(2S)-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide

SMILES

CC1=CC=C(O)C(C)=C1NC(=O)[C@@H]1CCCCN1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0190000000-9ffbc9e98da22beaf777
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-77d2896997407c87ae1b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000t-4190000000-4446e5700a3a2dfae837
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001a-3930000000-d2b7bcb48497897c91af
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-06sl-9700000000-0bdbcffadd37a98e78ac
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-8910000000-42b8f7f5d47e447419aa

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	155.95305	predicted	DeepCCS 1.0 (2019)
[M+H]+	158.34862	predicted	DeepCCS 1.0 (2019)
[M+Na]+	164.30757	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties