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

3
Patents

160.0484 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05568 131.9
[M+Na]+ 183.03762 137.7
[M-H]- 159.04112 131.1
[M+NH4]+ 178.08222 151.2
[M+K]+ 199.01156 138.3
[M+H-H2O]+ 143.04566 126.5
[M+HCOO]- 205.04660 155.1
[M+CH3COO]- 219.06225 176.8
[M+Na-2H]- 181.02307 135.5
[M]+ 160.04785 130.5
[M]- 160.04895 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.