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]+ 197.09208 140.3
[M+Na]+ 219.07402 149.7
[M-H]- 195.07752 139.5
[M+NH4]+ 214.11862 156.2
[M+K]+ 235.04796 147.1
[M+H-H2O]+ 179.08206 134.0
[M+HCOO]- 241.08300 158.3
[M+CH3COO]- 255.09865 181.5
[M+Na-2H]- 217.05947 143.1
[M]+ 196.08425 140.4
[M]- 196.08535 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.