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

158
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

literature stripe

Patent stripe

patents stripe