CID 57538087

Ethyl 2-(4,6-dihydroxypyrimidin-5-yl)acetate

Structural Information

Molecular Formula
C8H10N2O4
SMILES
CCOC(=O)CC1=C(N=CNC1=O)O
InChI
InChI=1S/C8H10N2O4/c1-2-14-6(11)3-5-7(12)9-4-10-8(5)13/h4H,2-3H2,1H3,(H2,9,10,12,13)
InChIKey
CXFWVKQYNKXWNT-UHFFFAOYSA-N
Compound name
ethyl 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

198.06406 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 139.4
[M+Na]+ 221.05328 148.4
[M-H]- 197.05678 138.3
[M+NH4]+ 216.09788 154.9
[M+K]+ 237.02722 146.1
[M+H-H2O]+ 181.06132 132.6
[M+HCOO]- 243.06226 159.0
[M+CH3COO]- 257.07791 177.7
[M+Na-2H]- 219.03873 144.6
[M]+ 198.06351 140.7
[M]- 198.06461 140.7
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