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]+ 195.07642 144.2
[M+Na]+ 217.05836 155.6
[M-H]- 193.06186 147.4
[M+NH4]+ 212.10296 155.4
[M+K]+ 233.03230 150.4
[M+H-H2O]+ 177.06640 137.2
[M+HCOO]- 239.06734 163.7
[M+CH3COO]- 253.08299 182.5
[M+Na-2H]- 215.04381 148.1
[M]+ 194.06859 146.0
[M]- 194.06969 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