CID 453565

1-((2-hydroxyethoxy)methyl)uracil

Structural Information

Molecular Formula
C7H10N2O4
SMILES
C1=CN(C(=O)NC1=O)COCCO
InChI
InChI=1S/C7H10N2O4/c10-3-4-13-5-9-2-1-6(11)8-7(9)12/h1-2,10H,3-5H2,(H,8,11,12)
InChIKey
YDYOYUPJKSJCMF-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

234
Patents

186.06406 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07134 134.9
[M+Na]+ 209.05328 144.5
[M-H]- 185.05678 133.7
[M+NH4]+ 204.09788 150.9
[M+K]+ 225.02722 141.8
[M+H-H2O]+ 169.06132 128.1
[M+HCOO]- 231.06226 155.7
[M+CH3COO]- 245.07791 174.6
[M+Na-2H]- 207.03873 141.8
[M]+ 186.06351 136.5
[M]- 186.06461 136.5
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.