CID 135881428

949739-54-2

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 142.0
[M+Na]+ 219.07402 153.5
[M+NH4]+ 214.11862 147.3
[M+K]+ 235.04796 150.1
[M-H]- 195.07752 140.3
[M+Na-2H]- 217.05947 145.5
[M]+ 196.08425 142.8
[M]- 196.08535 142.8
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.