CID 135881428

4-methyl-6-oxo-2-(propan-2-yl)-1,6-dihydropyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC1=C(C(=O)NC(=N1)C(C)C)C(=O)O
InChI
InChI=1S/C9H12N2O3/c1-4(2)7-10-5(3)6(9(13)14)8(12)11-7/h4H,1-3H3,(H,13,14)(H,10,11,12)
InChIKey
RJZSTYHUMGUVDS-UHFFFAOYSA-N
Compound name
4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 140.3
[M+Na]+ 219.074018 149.7
[M-H]- 195.077524 139.5
[M+NH4]+ 214.118623 156.2
[M+K]+ 235.047958 147.1
[M+H-H2O]+ 179.082060 134.0
[M+HCOO]- 241.083001 158.3
[M+CH3COO]- 255.098651 181.5
[M+Na-2H]- 217.059466 143.1
[M]+ 196.08425142 140.4
[M]- 196.08534858 140.4
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.