CID 165882450

Methyl5-(2-methoxy-2-oxoethoxy)pyrimidine-2-carboxylate

Structural Information

Molecular Formula
C9H10N2O5
SMILES
COC(=O)COC1=CN=C(N=C1)C(=O)OC
InChI
InChI=1S/C9H10N2O5/c1-14-7(12)5-16-6-3-10-8(11-4-6)9(13)15-2/h3-4H,5H2,1-2H3
InChIKey
LTSLSMBXQYHKKU-UHFFFAOYSA-N
Compound name
methyl 5-(2-methoxy-2-oxoethoxy)pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06626 144.8
[M+Na]+ 249.04820 153.0
[M-H]- 225.05170 146.0
[M+NH4]+ 244.09280 160.1
[M+K]+ 265.02214 153.3
[M+H-H2O]+ 209.05624 136.9
[M+HCOO]- 271.05718 166.3
[M+CH3COO]- 285.07283 186.8
[M+Na-2H]- 247.03365 150.2
[M]+ 226.05843 150.5
[M]- 226.05953 150.5
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.