CID 14470811

Dimethyl pyrimidine-2,5-dicarboxylate

Structural Information

Molecular Formula
C8H8N2O4
SMILES
COC(=O)C1=CN=C(N=C1)C(=O)OC
InChI
InChI=1S/C8H8N2O4/c1-13-7(11)5-3-9-6(10-4-5)8(12)14-2/h3-4H,1-2H3
InChIKey
BBRSRYSYHOLQRT-UHFFFAOYSA-N
Compound name
dimethyl pyrimidine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

196.0484 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 137.6
[M+Na]+ 219.03762 146.4
[M-H]- 195.04112 139.1
[M+NH4]+ 214.08222 154.3
[M+K]+ 235.01156 146.4
[M+H-H2O]+ 179.04566 130.2
[M+HCOO]- 241.04660 159.3
[M+CH3COO]- 255.06225 181.7
[M+Na-2H]- 217.02307 143.5
[M]+ 196.04785 141.6
[M]- 196.04895 141.6
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