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 143.3
[M+Na]+ 233.06451 157.5
[M-H]- 209.06801 142.0
[M+NH4]+ 228.10911 159.3
[M+K]+ 249.03845 152.9
[M+H-H2O]+ 193.07255 136.3
[M+HCOO]- 255.07349 162.7
[M+CH3COO]- 269.08914 182.5
[M+Na-2H]- 231.04996 148.5
[M]+ 210.07474 147.0
[M]- 210.07584 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