CID 23009531

4,6-dimethyl-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=C(C(=NC(=O)N1)C)C(=O)O
InChI
InChI=1S/C7H8N2O3/c1-3-5(6(10)11)4(2)9-7(12)8-3/h1-2H3,(H,10,11)(H,8,9,12)
InChIKey
HQYAVJZPZFFTER-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-oxo-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

168.0535 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 133.3
[M+Na]+ 191.04272 145.5
[M+NH4]+ 186.08732 139.0
[M+K]+ 207.01666 141.8
[M-H]- 167.04622 131.9
[M+Na-2H]- 189.02817 137.6
[M]+ 168.05295 134.3
[M]- 168.05405 134.3
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