CID 3064870

2-(3-ethylureido)-2-oxoacetic acid

Structural Information

Molecular Formula

C₅H₈N₂O₄

SMILES

CCNC(=O)NC(=O)C(=O)O

InChI

InChI=1S/C5H8N2O4/c1-2-6-5(11)7-3(8)4(9)10/h2H2,1H3,(H,9,10)(H2,6,7,8,11)

InChIKey

LIPYGGZRJRZBSL-UHFFFAOYSA-N

Compound name

2-(ethylcarbamoylamino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 3
Patents: 160.0484 Da
Monoisotopic Mass: 0.0
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	133.3
[M+Na]+	183.03762	139.1
[M+NH4]+	178.08222	137.9
[M+K]+	199.01156	137.8
[M-H]-	159.04112	130.3
[M+Na-2H]-	181.02307	133.9
[M]+	160.04785	132.4
[M]-	160.04895	132.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.