Metabolite N-ethyl-m-toluamide

Name

N-ethyl-m-toluamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

RS5ZM0NO6Q

CAS number

Not Available

Weight

Average: 163.22
Monoisotopic: 163.099714043

Chemical Formula

C₁₀H₁₃NO

InChI Key

FPINATACRXASTP-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO/c1-3-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,11,12)

IUPAC Name

N-ethyl-3-methylbenzamide

SMILES

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

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-2900000000-b2b3660723d5ccac6f79
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03dl-5900000000-d6697ab3ef88606b843e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-8900000000-128dc91afd43ad360bda
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-c749789c6a676594ab81
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-fe26c20960e29172e523
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kf-9200000000-aa4d3c0a2b5783a75f5a

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	141.2911478	predicted	DarkChem Lite v0.1.0
[M-H]-	146.20763	predicted	DeepCCS 1.0 (2019)
[M+H]+	141.6593478	predicted	DarkChem Lite v0.1.0
[M+H]+	148.10304	predicted	DeepCCS 1.0 (2019)
[M+Na]+	141.6339478	predicted	DarkChem Lite v0.1.0
[M+Na]+	153.81664	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties