Metabolite 4-Hydroxynorephedrine

Name

4-Hydroxynorephedrine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 167.205
Monoisotopic: 167.094628665

Chemical Formula

C₉H₁₃NO₂

InChI Key

JAYBQRKXEFDRER-HZGVNTEJSA-N

InChI

InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m1/s1

IUPAC Name

4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol

SMILES

C[C@@H](N)[C@@H](O)C1=CC=C(O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-006x-9600000000-634228d4f2ed23800fac
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-053s-0900000000-58a3ac7c6e26ceaf0195
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ue9-0900000000-bd810e1d171dc3a1f0e4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-2900000000-d6c8b165b4f1b0d181b7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4l-4900000000-76c1ce08bbad86499e3a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0aor-7900000000-9dccb27e5f8a46223173
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9800000000-85e6eef63c79e4eb999f

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	142.0214449	predicted	DarkChem Lite v0.1.0
[M-H]-	143.81694	predicted	DeepCCS 1.0 (2019)
[M+H]+	142.7023449	predicted	DarkChem Lite v0.1.0
[M+H]+	146.21252	predicted	DeepCCS 1.0 (2019)
[M+Na]+	142.1495449	predicted	DarkChem Lite v0.1.0
[M+Na]+	152.12503	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties