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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04004 131.0
[M+Na]+ 193.02198 139.6
[M-H]- 169.02548 130.9
[M+NH4]+ 188.06658 148.0
[M+K]+ 208.99592 138.5
[M+H-H2O]+ 153.03002 124.5
[M+HCOO]- 215.03096 150.1
[M+CH3COO]- 229.04661 174.0
[M+Na-2H]- 191.00743 135.9
[M]+ 170.03221 129.9
[M]- 170.03331 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.