CID 6482280

3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C9H10N2O4
SMILES
C1=COC2=NC(=O)N(C=C21)COCCO
InChI
InChI=1S/C9H10N2O4/c12-2-4-14-6-11-5-7-1-3-15-8(7)10-9(11)13/h1,3,5,12H,2,4,6H2
InChIKey
DWFJVOKZRQTDFV-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

210.06406 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 139.1
[M+Na]+ 233.05328 150.4
[M-H]- 209.05678 141.3
[M+NH4]+ 228.09788 156.5
[M+K]+ 249.02722 149.0
[M+H-H2O]+ 193.06132 132.3
[M+HCOO]- 255.06226 161.8
[M+CH3COO]- 269.07791 181.1
[M+Na-2H]- 231.03873 147.8
[M]+ 210.06351 145.6
[M]- 210.06461 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe