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

155
Patents

184.0484 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 133.6
[M+Na]+ 207.037618 144.3
[M-H]- 183.041124 133.0
[M+NH4]+ 202.082223 149.9
[M+K]+ 223.011558 141.5
[M+H-H2O]+ 167.045660 127.3
[M+HCOO]- 229.046601 153.6
[M+CH3COO]- 243.062251 175.3
[M+Na-2H]- 205.023066 138.5
[M]+ 184.04785142 134.2
[M]- 184.04894858 134.2
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

patents stripe