Metabolite Alpha-methylnorepinephrine

Name

Alpha-methylnorepinephrine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 183.207
Monoisotopic: 183.089543283

Chemical Formula

C₉H₁₃NO₃

InChI Key

GEFQWZLICWMTKF-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3

IUPAC Name

4-(2-amino-1-hydroxypropyl)benzene-1,2-diol

SMILES

CC(N)C(O)C1=CC(O)=C(O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kb-1900000000-0d3f1b23bb948e7b2c24
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0900000000-600876d8867e1e320b6f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-1900000000-b8d913aa0fd0d23c339a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00dr-0900000000-a615208a196b01db6ced
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05fs-3900000000-07fbd2d50ac996fbf41d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-8900000000-e510e84e6f087115f839

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	145.1951228	predicted	DarkChem Lite v0.1.0
[M-H]-	145.1951228	predicted	DarkChem Lite v0.1.0
[M-H]-	138.68176	predicted	DeepCCS 1.0 (2019)
[M-H]-	138.68176	predicted	DeepCCS 1.0 (2019)
[M+H]+	146.7833228	predicted	DarkChem Lite v0.1.0
[M+H]+	146.7833228	predicted	DarkChem Lite v0.1.0
[M+H]+	141.07732	predicted	DeepCCS 1.0 (2019)
[M+H]+	141.07732	predicted	DeepCCS 1.0 (2019)
[M+Na]+	145.5489228	predicted	DarkChem Lite v0.1.0
[M+Na]+	145.5489228	predicted	DarkChem Lite v0.1.0
[M+Na]+	148.77303	predicted	DeepCCS 1.0 (2019)
[M+Na]+	148.77303	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties