CID 57538087

1095822-20-0

Structural Information

Molecular Formula

C₈H₁₀N₂O₄

SMILES

CCOC(=O)CC1=C(N=CNC1=O)O

InChI

InChI=1S/C8H10N2O4/c1-2-14-6(11)3-5-7(12)9-4-10-8(5)13/h4H,2-3H2,1H3,(H2,9,10,12,13)

InChIKey

CXFWVKQYNKXWNT-UHFFFAOYSA-N

Compound name

ethyl 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 198.06406 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]+	199.07134	140.9
[M+Na]+	221.05328	152.1
[M+NH4]+	216.09788	145.9
[M+K]+	237.02722	148.5
[M-H]-	197.05678	138.9
[M+Na-2H]-	219.03873	144.8
[M]+	198.06351	141.5
[M]-	198.06461	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe