CID 101411

5-carbethoxyuracil

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

CCOC(=O)C1=CNC(=O)NC1=O

InChI

InChI=1S/C7H8N2O4/c1-2-13-6(11)4-3-8-7(12)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,12)

InChIKey

MKNYHTGOVKPZMU-UHFFFAOYSA-N

Compound name

ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 307
Patents: 184.0484 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]+	185.05568	134.0
[M+Na]+	207.03762	143.7
[M-H]-	183.04112	133.0
[M+NH4]+	202.08222	150.0
[M+K]+	223.01156	141.0
[M+H-H2O]+	167.04566	127.4
[M+HCOO]-	229.04660	154.0
[M+CH3COO]-	243.06225	174.0
[M+Na-2H]-	205.02307	139.7
[M]+	184.04785	134.2
[M]-	184.04895	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe