Metabolite 4-hydroxymethamphetamine

Name

4-hydroxymethamphetamine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

AY28O44JGD

CAS number

Not Available

Weight

Average: 165.2322
Monoisotopic: 165.115364107

Chemical Formula

C₁₀H₁₅NO

InChI Key

SBUQZKJEOOQSBV-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3

IUPAC Name

4-[2-(methylamino)propyl]phenol

SMILES

CNC(C)CC1=CC=C(O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a4i-9200000000-aa543cec4c62e49e3a10
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-1900000000-abb419673ff2de007646
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0900000000-6a1d83bc12bc31d2af0e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0900000000-05337b1261643e0904e8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4l-8900000000-c244ede16e99bff2df55
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kf-9800000000-ed343123b14d65bf06c9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00ou-9300000000-083810e0337d83773d05

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	143.2816286	predicted	DarkChem Lite v0.1.0
[M-H]-	137.06181	predicted	DeepCCS 1.0 (2019)
[M+H]+	144.0320286	predicted	DarkChem Lite v0.1.0
[M+H]+	140.88982	predicted	DeepCCS 1.0 (2019)
[M+Na]+	143.7849286	predicted	DarkChem Lite v0.1.0
[M+Na]+	150.29314	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties