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

23
Patents

210.07529 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.082566 143.3
[M+Na]+ 233.064508 157.5
[M-H]- 209.068014 142.0
[M+NH4]+ 228.109113 159.3
[M+K]+ 249.038448 152.9
[M+H-H2O]+ 193.072550 136.3
[M+HCOO]- 255.073491 162.7
[M+CH3COO]- 269.089141 182.5
[M+Na-2H]- 231.049956 148.5
[M]+ 210.07474142 147.0
[M]- 210.07583858 147.0
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