CID 4449183

Ethyl 4,6-dimethoxypyrimidine-2-carboxylate

Structural Information

Molecular Formula
C9H12N2O4
SMILES
CCOC(=O)C1=NC(=CC(=N1)OC)OC
InChI
InChI=1S/C9H12N2O4/c1-4-15-9(12)8-10-6(13-2)5-7(11-8)14-3/h5H,4H2,1-3H3
InChIKey
ODMOQVSDVCHMLF-UHFFFAOYSA-N
Compound name
ethyl 4,6-dimethoxypyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

212.07971 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 143.1
[M+Na]+ 235.06893 152.3
[M-H]- 211.07243 144.6
[M+NH4]+ 230.11353 159.5
[M+K]+ 251.04287 152.1
[M+H-H2O]+ 195.07697 135.5
[M+HCOO]- 257.07791 165.2
[M+CH3COO]- 271.09356 186.5
[M+Na-2H]- 233.05438 148.9
[M]+ 212.07916 149.2
[M]- 212.08026 149.2
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

patents stripe