CID 490542

1-[2-hydroxy-1-(hydroxymethyl)ethoxy]-5-vinyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H12N2O5
SMILES
C=CC1=CN(C(=O)NC1=O)OC(CO)CO
InChI
InChI=1S/C9H12N2O5/c1-2-6-3-11(9(15)10-8(6)14)16-7(4-12)5-13/h2-3,7,12-13H,1,4-5H2,(H,10,14,15)
InChIKey
FDTMUTMTXGDFJW-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxypropan-2-yloxy)-5-ethenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.07462 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 145.9
[M+Na]+ 251.06384 154.9
[M-H]- 227.06734 143.4
[M+NH4]+ 246.10844 159.4
[M+K]+ 267.03778 151.4
[M+H-H2O]+ 211.07188 139.1
[M+HCOO]- 273.07282 163.8
[M+CH3COO]- 287.08847 181.9
[M+Na-2H]- 249.04929 149.3
[M]+ 228.07407 146.8
[M]- 228.07517 146.8
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.