CID 3058998

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

Structural Information

Molecular Formula
C10H12N4O2
SMILES
C1CCC(C1)N2C3=C(C(=O)NC2=O)NC=N3
InChI
InChI=1S/C10H12N4O2/c15-9-7-8(12-5-11-7)14(10(16)13-9)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)(H,13,15,16)
InChIKey
VJDSUFIVURYZOJ-UHFFFAOYSA-N
Compound name
3-cyclopentyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

220.09602 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.103296 146.4
[M+Na]+ 243.085238 157.2
[M-H]- 219.088744 147.4
[M+NH4]+ 238.129843 162.8
[M+K]+ 259.059178 151.9
[M+H-H2O]+ 203.093280 138.2
[M+HCOO]- 265.094221 164.5
[M+CH3COO]- 279.109871 158.3
[M+Na-2H]- 241.070686 149.4
[M]+ 220.09547142 144.2
[M]- 220.09656858 144.2
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