Metabolite p-hydroxymexiletine

Name

p-hydroxymexiletine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

D9M8AQ3NDJ

CAS number

Not Available

Weight

Average: 195.2582
Monoisotopic: 195.125928793

Chemical Formula

C₁₁H₁₇NO₂

InChI Key

YWOSWRCXWBDSRQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H17NO2/c1-7-4-10(13)5-8(2)11(7)14-6-9(3)12/h4-5,9,13H,6,12H2,1-3H3

IUPAC Name

4-(2-aminopropoxy)-3,5-dimethylphenol

SMILES

CC(N)COC1=C(C)C=C(O)C=C1C

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0006-9400000000-fe16b4417df0524f82f6
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4j-8900000000-458c1093dd4fa67596db
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0900000000-4e528b5c166a69c8b28e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-1900000000-c4a65065699a2c4b5764
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fr-5900000000-c6266668efb8afa2906e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05tr-3900000000-9ab9998a10ee5bc1bc07
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fr-5900000000-449835b0c06b95c114ae

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	151.6601775	predicted	DarkChem Lite v0.1.0
[M-H]-	141.61833	predicted	DeepCCS 1.0 (2019)
[M+H]+	152.7323775	predicted	DarkChem Lite v0.1.0
[M+H]+	144.07848	predicted	DeepCCS 1.0 (2019)
[M+Na]+	151.6270775	predicted	DarkChem Lite v0.1.0
[M+Na]+	152.65074	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties