CID 135928696

Methyl 2-cyclopropyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CC1=C(C(=O)NC(=N1)C2CC2)C(=O)OC
InChI
InChI=1S/C10H12N2O3/c1-5-7(10(14)15-2)9(13)12-8(11-5)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,12,13)
InChIKey
BKAFMCRHJVMFPU-UHFFFAOYSA-N
Compound name
methyl 2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0848 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 149.4
[M+Na]+ 231.07402 160.9
[M-H]- 207.07752 153.8
[M+NH4]+ 226.11862 160.8
[M+K]+ 247.04796 156.3
[M+H-H2O]+ 191.08206 141.9
[M+HCOO]- 253.08300 170.0
[M+CH3COO]- 267.09865 187.0
[M+Na-2H]- 229.05947 153.1
[M]+ 208.08425 153.2
[M]- 208.08535 153.2
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.