Metabolite alpha-aminoglutarimide

Name

alpha-aminoglutarimide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 128.131
Monoisotopic: 128.058577506

Chemical Formula

C₅H₈N₂O₂

InChI Key

NPWMTBZSRRLQNJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)

IUPAC Name

3-aminopiperidine-2,6-dione

SMILES

NC1CCC(=O)NC1=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03fr-0900000000-6abb36d20dbcafaa7e6d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-3900000000-c1980f8d8c2a8b16927d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-4900000000-28b1f41e00eb5cba99e8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9100000000-a7e8b388e6e98f1e45c1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-a293b295c4584ba7837b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-7f0202bac93694881874

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	122.7236101	predicted	DarkChem Lite v0.1.0
[M-H]-	125.889336	predicted	DeepCCS 1.0 (2019)
[M+H]+	123.5683101	predicted	DarkChem Lite v0.1.0
[M+H]+	128.65721	predicted	DeepCCS 1.0 (2019)
[M+Na]+	122.9307101	predicted	DarkChem Lite v0.1.0
[M+Na]+	137.16484	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties