CID 3058456

75274-22-5

Structural Information

Molecular Formula

C₈H₉N₃O₃

SMILES

CCOC(=O)C(=O)NC1=NC=NC=C1

InChI

InChI=1S/C8H9N3O3/c1-2-14-8(13)7(12)11-6-3-4-9-5-10-6/h3-5H,2H2,1H3,(H,9,10,11,12)

InChIKey

KSKJAAMBBDMWOE-UHFFFAOYSA-N

Compound name

ethyl 2-oxo-2-(pyrimidin-4-ylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.06439 Da
Monoisotopic Mass: 0.7
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]+	196.07167	140.1
[M+Na]+	218.05361	147.2
[M-H]-	194.05711	141.1
[M+NH4]+	213.09821	156.2
[M+K]+	234.02755	146.5
[M+H-H2O]+	178.06165	132.1
[M+HCOO]-	240.06259	162.5
[M+CH3COO]-	254.07824	182.6
[M+Na-2H]-	216.03906	146.9
[M]+	195.06384	141.2
[M]-	195.06494	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe