CID 3058997

1h-purine-2,6-dione, 3,7-dihydro-3-cyclobutyl-

Structural Information

Molecular Formula
C9H10N4O2
SMILES
C1CC(C1)N2C3=C(C(=O)NC2=O)NC=N3
InChI
InChI=1S/C9H10N4O2/c14-8-6-7(11-4-10-6)13(9(15)12-8)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)(H,12,14,15)
InChIKey
QHOKAYDMFYIBBA-UHFFFAOYSA-N
Compound name
3-cyclobutyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

206.08037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 141.4
[M+Na]+ 229.06959 151.6
[M-H]- 205.07309 142.0
[M+NH4]+ 224.11419 150.4
[M+K]+ 245.04353 149.5
[M+H-H2O]+ 189.07763 128.2
[M+HCOO]- 251.07857 158.6
[M+CH3COO]- 265.09422 153.0
[M+Na-2H]- 227.05504 146.9
[M]+ 206.07982 148.9
[M]- 206.08092 148.9
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