CID 253771

3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O4
SMILES
CN1C(=O)C(=CNC1=O)C(=O)O
InChI
InChI=1S/C6H6N2O4/c1-8-4(9)3(5(10)11)2-7-6(8)12/h2H,1H3,(H,7,12)(H,10,11)
InChIKey
HUEHCDQZTHOZAN-UHFFFAOYSA-N
Compound name
3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

170.03276 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.040036 128.7
[M+Na]+ 193.021978 139.8
[M-H]- 169.025484 128.3
[M+NH4]+ 188.066583 145.5
[M+K]+ 208.995918 137.2
[M+H-H2O]+ 153.030020 122.7
[M+HCOO]- 215.030961 149.1
[M+CH3COO]- 229.046611 172.9
[M+Na-2H]- 191.007426 134.2
[M]+ 170.03221142 129.0
[M]- 170.03330858 129.0
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