CID 11514278

Chembl381807

Structural Information

Molecular Formula
C9H12N2O6
SMILES
COC(=O)C1=CC(=O)NC(=O)N1COCCO
InChI
InChI=1S/C9H12N2O6/c1-16-8(14)6-4-7(13)10-9(15)11(6)5-17-3-2-12/h4,12H,2-3,5H2,1H3,(H,10,13,15)
InChIKey
GQVNGNJLBXVODK-UHFFFAOYSA-N
Compound name
methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.06953 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07681 147.4
[M+Na]+ 267.05875 156.7
[M-H]- 243.06225 146.3
[M+NH4]+ 262.10335 161.0
[M+K]+ 283.03269 154.8
[M+H-H2O]+ 227.06679 140.1
[M+HCOO]- 289.06773 167.1
[M+CH3COO]- 303.08338 185.8
[M+Na-2H]- 265.04420 151.5
[M]+ 244.06898 151.5
[M]- 244.07008 151.5
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

No patent data available for this compound.