CID 165882450

2839157-01-4

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]+ 227.066256 144.8
[M+Na]+ 249.048198 153.0
[M-H]- 225.051704 146.0
[M+NH4]+ 244.092803 160.1
[M+K]+ 265.022138 153.3
[M+H-H2O]+ 209.056240 136.9
[M+HCOO]- 271.057181 166.3
[M+CH3COO]- 285.072831 186.8
[M+Na-2H]- 247.033646 150.2
[M]+ 226.05843142 150.5
[M]- 226.05952858 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.