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

14
Patents

198.06406 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.071336 139.4
[M+Na]+ 221.053278 148.4
[M-H]- 197.056784 138.3
[M+NH4]+ 216.097883 154.9
[M+K]+ 237.027218 146.1
[M+H-H2O]+ 181.061320 132.6
[M+HCOO]- 243.062261 159.0
[M+CH3COO]- 257.077911 177.7
[M+Na-2H]- 219.038726 144.6
[M]+ 198.06351142 140.7
[M]- 198.06460858 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