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]+ 227.07748 145.3
[M+Na]+ 249.05942 157.0
[M-H]- 225.06292 141.9
[M+NH4]+ 244.10402 159.2
[M+K]+ 265.03336 152.2
[M+H-H2O]+ 209.06746 137.6
[M+HCOO]- 271.06840 163.4
[M+CH3COO]- 285.08405 179.9
[M+Na-2H]- 247.04487 151.7
[M]+ 226.06965 147.7
[M]- 226.07075 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.