Metabolite (R)-(-)-Mexiletine, 2-OH-hydroxymethyl

Name

(R)-(-)-Mexiletine, 2-OH-hydroxymethyl

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 195.262
Monoisotopic: 195.125928791

Chemical Formula

C₁₁H₁₇NO₂

InChI Key

XMJYSMLLWRQQAE-SECBINFHSA-N

InChI

InChI=1S/C11H17NO2/c1-8-4-3-5-10(6-13)11(8)14-7-9(2)12/h3-5,9,13H,6-7,12H2,1-2H3/t9-/m1/s1

IUPAC Name

{2-[(2R)-2-aminopropoxy]-3-methylphenyl}methanol

SMILES

[H][C@](C)(N)COC1=C(C)C=CC=C1CO

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fr-1900000000-b41b459c755ec568097c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0900000000-28baea3cf4e93bbaefde
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-066r-0900000000-af5e848b28c821ece82e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-2900000000-2151f12a165b62318dc8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-1900000000-60061c47075a9ed12750
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9600000000-d9f21d08acba311fa565

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	144.63747	predicted	DeepCCS 1.0 (2019)
[M+H]+	147.03304	predicted	DeepCCS 1.0 (2019)
[M+Na]+	153.05989	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties