CID 151031

Alpha-cycloglutamate

Structural Information

Molecular Formula

C₅H₈N₂O₄

SMILES

C1C(ONC1=O)C(C(=O)O)N

InChI

InChI=1S/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)

InChIKey

NTHMUJMQOXQYBR-UHFFFAOYSA-N

Compound name

2-amino-2-(3-oxo-1,2-oxazolidin-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 264
Patents: 160.0484 Da
Monoisotopic Mass: -4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	161.05568	131.6
[M+Na]+	183.03762	137.5
[M-H]-	159.04112	131.2
[M+NH4]+	178.08222	149.1
[M+K]+	199.01156	137.5
[M+H-H2O]+	143.04566	125.8
[M+HCOO]-	205.04660	149.6
[M+CH3COO]-	219.06225	171.6
[M+Na-2H]-	181.02307	133.7
[M]+	160.04785	126.8
[M]-	160.04895	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe