CID 710693

17994-55-7

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1)C
InChI
InChI=1S/C8H12N2O3/c1-3-13-7(11)6-4-9-8(12)10-5(6)2/h3-4H2,1-2H3,(H2,9,10,12)
InChIKey
DIDVRNLWJBGGQJ-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

6
Patents

184.0848 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09208 140.1
[M+Na]+ 207.07402 147.2
[M-H]- 183.07752 138.1
[M+NH4]+ 202.11862 156.0
[M+K]+ 223.04796 144.7
[M+H-H2O]+ 167.08206 133.5
[M+HCOO]- 229.08300 156.5
[M+CH3COO]- 243.09865 176.2
[M+Na-2H]- 205.05947 143.2
[M]+ 184.08425 137.0
[M]- 184.08535 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe