CID 46856292

6214-46-6

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CCOC(=O)CC1=CN=CNC1=O

InChI

InChI=1S/C8H10N2O3/c1-2-13-7(11)3-6-4-9-5-10-8(6)12/h4-5H,2-3H2,1H3,(H,9,10,12)

InChIKey

LBOPQWUXCIRYIU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 182.06914 Da
Monoisotopic Mass: -0.5
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]+	183.07642	137.4
[M+Na]+	205.05836	149.3
[M+NH4]+	200.10296	143.3
[M+K]+	221.03230	144.6
[M-H]-	181.06186	136.4
[M+Na-2H]-	203.04381	142.6
[M]+	182.06859	138.5
[M]-	182.06969	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe