CID 97298630

Methyl 2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate

Structural Information

Molecular Formula

C₆H₆N₂O₄

SMILES

COC(=O)C1=NC(=O)NC(=O)C1

InChI

InChI=1S/C6H6N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h2H2,1H3,(H,8,9,11)

InChIKey

VMXCHXUGEQHMFP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.03276 Da
Monoisotopic Mass: -0.6
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]+	171.040036	131.0
[M+Na]+	193.021978	139.6
[M-H]-	169.025484	130.9
[M+NH4]+	188.066583	148.0
[M+K]+	208.995918	138.5
[M+H-H2O]+	153.030020	124.5
[M+HCOO]-	215.030961	150.1
[M+CH3COO]-	229.046611	174.0
[M+Na-2H]-	191.007426	135.9
[M]+	170.03221142	129.9
[M]-	170.03330858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.