CID 135881429

2-cyclopropyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC1=C(C(=O)NC(=N1)C2CC2)C(=O)O
InChI
InChI=1S/C9H10N2O3/c1-4-6(9(13)14)8(12)11-7(10-4)5-2-3-5/h5H,2-3H2,1H3,(H,13,14)(H,10,11,12)
InChIKey
GTRLMSIMTPUBTF-UHFFFAOYSA-N
Compound name
2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

194.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 144.2
[M+Na]+ 217.058358 155.6
[M-H]- 193.061864 147.4
[M+NH4]+ 212.102963 155.4
[M+K]+ 233.032298 150.4
[M+H-H2O]+ 177.066400 137.2
[M+HCOO]- 239.067341 163.7
[M+CH3COO]- 253.082991 182.5
[M+Na-2H]- 215.043806 148.1
[M]+ 194.06859142 146.0
[M]- 194.06968858 146.0
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