Metabolite Levetiracetam carboxylic acid metabolite (L057)

Name

Levetiracetam carboxylic acid metabolite (L057)

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

S19061909R

CAS number

Not Available

Weight

Average: 171.196
Monoisotopic: 171.089543283

Chemical Formula

C₈H₁₃NO₃

InChI Key

IODGAONBTQRGGG-LURJTMIESA-N

InChI

InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1

IUPAC Name

(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid

SMILES

CC[C@H](N1CCCC1=O)C(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00b9-0900000000-106c840ee0d8d8d8bf64
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-2900000000-551a798d399312ecb8ed
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004r-9500000000-0549bb47be0e292b27ea
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0uxr-7900000000-77538b0c86bba7c1ca65
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-006x-9000000000-841affac99903b6c49c5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0btl-9300000000-efd0213074534cee9f10

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	140.9969097	predicted	DarkChem Lite v0.1.0
[M-H]-	136.8762	predicted	DeepCCS 1.0 (2019)
[M+H]+	142.8443097	predicted	DarkChem Lite v0.1.0
[M+H]+	140.70354	predicted	DeepCCS 1.0 (2019)
[M+Na]+	141.0323097	predicted	DarkChem Lite v0.1.0
[M+Na]+	149.73671	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties