CID 490541

1-(2-hydroxyethoxy)-5-vinyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C8H10N2O4
SMILES
C=CC1=CN(C(=O)NC1=O)OCCO
InChI
InChI=1S/C8H10N2O4/c1-2-6-5-10(14-4-3-11)8(13)9-7(6)12/h2,5,11H,1,3-4H2,(H,9,12,13)
InChIKey
HFAVDOPZLANXNB-UHFFFAOYSA-N
Compound name
5-ethenyl-1-(2-hydroxyethoxy)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

198.06406 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 138.0
[M+Na]+ 221.05328 148.4
[M-H]- 197.05678 137.1
[M+NH4]+ 216.09788 153.7
[M+K]+ 237.02722 144.9
[M+H-H2O]+ 181.06132 131.3
[M+HCOO]- 243.06226 158.6
[M+CH3COO]- 257.07791 178.0
[M+Na-2H]- 219.03873 143.6
[M]+ 198.06351 139.6
[M]- 198.06461 139.6
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

No patent data available for this compound.