Metabolite p-hydroxy-methylphenidate

Name

p-hydroxy-methylphenidate

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 249.31
Monoisotopic: 249.136493476

Chemical Formula

C₁₄H₁₉NO₃

InChI Key

XVXFNANJMMTNSO-CHWSQXEVSA-N

InChI

InChI=1S/C14H19NO3/c1-18-14(17)13(12-4-2-3-9-15-12)10-5-7-11(16)8-6-10/h5-8,12-13,15-16H,2-4,9H2,1H3/t12-,13-/m1/s1

IUPAC Name

methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate

SMILES

[H][C@@](C(=O)OC)(C1=CC=C(O)C=C1)[C@@]1([H])CCCCN1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0uyi-3090000000-d0be76d9ee937a29c860
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0590000000-434a6f9fbac3761267d2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00lr-9250000000-84edf2623d069ba191fb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-1920000000-b9b45b6108c99dbbe07b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a5c-9600000000-50e35aa07ca195b69bbf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-8920000000-adfbae6fa53087cf9f0a

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	157.55753	predicted	DeepCCS 1.0 (2019)
[M+H]+	160.19199	predicted	DeepCCS 1.0 (2019)
[M+Na]+	167.52318	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties