CID 76142

2879-16-5

Structural Information

Molecular Formula
C8H10N4O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CO
InChI
InChI=1S/C8H10N4O3/c1-11-6-5(9-4(3-13)10-6)7(14)12(2)8(11)15/h13H,3H2,1-2H3,(H,9,10)
InChIKey
GHYKZCOUOKEWNN-UHFFFAOYSA-N
Compound name
8-(hydroxymethyl)-1,3-dimethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

210.07529 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08257 144.2
[M+Na]+ 233.06451 157.6
[M+NH4]+ 228.10911 149.2
[M+K]+ 249.03845 155.3
[M-H]- 209.06801 141.9
[M+Na-2H]- 231.04996 147.5
[M]+ 210.07474 145.1
[M]- 210.07584 145.1
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

patents stripe