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

7
Patents

206.08037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.087646 141.4
[M+Na]+ 229.069588 151.6
[M-H]- 205.073094 142.0
[M+NH4]+ 224.114193 150.4
[M+K]+ 245.043528 149.5
[M+H-H2O]+ 189.077630 128.2
[M+HCOO]- 251.078571 158.6
[M+CH3COO]- 265.094221 153.0
[M+Na-2H]- 227.055036 146.9
[M]+ 206.07982142 148.9
[M]- 206.08091858 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