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
5
Annotation Hits

1
References

8
Patents

160.0484 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.055676 131.9
[M+Na]+ 183.037618 137.7
[M-H]- 159.041124 131.1
[M+NH4]+ 178.082223 151.2
[M+K]+ 199.011558 138.3
[M+H-H2O]+ 143.045660 126.5
[M+HCOO]- 205.046601 155.1
[M+CH3COO]- 219.062251 176.8
[M+Na-2H]- 181.023066 135.5
[M]+ 160.04785142 130.5
[M]- 160.04894858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.