CID 28818763

869891-41-8

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

CC1=C(C(=O)NC(=O)N1)C(=O)OC

InChI

InChI=1S/C7H8N2O4/c1-3-4(6(11)13-2)5(10)9-7(12)8-3/h1-2H3,(H2,8,9,10,12)

InChIKey

WMENLTSMANJRGJ-UHFFFAOYSA-N

Compound name

methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
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	133.6
[M+Na]+	207.03762	144.3
[M-H]-	183.04112	133.0
[M+NH4]+	202.08222	149.9
[M+K]+	223.01156	141.5
[M+H-H2O]+	167.04566	127.3
[M+HCOO]-	229.04660	153.6
[M+CH3COO]-	243.06225	175.3
[M+Na-2H]-	205.02307	138.5
[M]+	184.04785	134.2
[M]-	184.04895	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe