CID 6482279

5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H10N2O4
SMILES
C#CC1=CN(C(=O)NC1=O)COCCO
InChI
InChI=1S/C9H10N2O4/c1-2-7-5-11(6-15-4-3-12)9(14)10-8(7)13/h1,5,12H,3-4,6H2,(H,10,13,14)
InChIKey
WAXIUEZBEULFPU-UHFFFAOYSA-N
Compound name
5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.06406 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 140.2
[M+Na]+ 233.05328 151.3
[M-H]- 209.05678 137.5
[M+NH4]+ 228.09788 153.3
[M+K]+ 249.02722 147.6
[M+H-H2O]+ 193.06132 127.2
[M+HCOO]- 255.06226 154.6
[M+CH3COO]- 269.07791 188.5
[M+Na-2H]- 231.03873 144.2
[M]+ 210.06351 136.3
[M]- 210.06461 136.3
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.