CID 3011687

2-hydroxy-9-(2-hydroxyethoxymethyl)-1h-purin-6-one

Structural Information

Molecular Formula
C8H10N4O4
SMILES
C1=NC2=C(N1COCCO)NC(=O)NC2=O
InChI
InChI=1S/C8H10N4O4/c13-1-2-16-4-12-3-9-5-6(12)10-8(15)11-7(5)14/h3,13H,1-2,4H2,(H2,10,11,14,15)
InChIKey
AQBQRMSRPAWOFQ-UHFFFAOYSA-N
Compound name
9-(2-hydroxyethoxymethyl)-3H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.0702 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.077476 145.3
[M+Na]+ 249.059418 157.0
[M-H]- 225.062924 141.9
[M+NH4]+ 244.104023 159.2
[M+K]+ 265.033358 152.2
[M+H-H2O]+ 209.067460 137.6
[M+HCOO]- 271.068401 163.4
[M+CH3COO]- 285.084051 179.9
[M+Na-2H]- 247.044866 151.7
[M]+ 226.06965142 147.7
[M]- 226.07074858 147.7
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.