CID 14028158

24766-55-0

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

CN1C(=O)C=C(NC1=O)C(=O)OC

InChI

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

InChIKey

RHDCKHLARXDWOM-UHFFFAOYSA-N

Compound name

methyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.0484 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]+	185.05568	132.4
[M+Na]+	207.03762	143.5
[M-H]-	183.04112	133.2
[M+NH4]+	202.08222	149.4
[M+K]+	223.01156	141.7
[M+H-H2O]+	167.04566	125.9
[M+HCOO]-	229.04660	153.9
[M+CH3COO]-	243.06225	177.7
[M+Na-2H]-	205.02307	137.9
[M]+	184.04785	134.9
[M]-	184.04895	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe