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

10
Patents

220.09602 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 146.4
[M+Na]+ 243.08524 157.2
[M-H]- 219.08874 147.4
[M+NH4]+ 238.12984 162.8
[M+K]+ 259.05918 151.9
[M+H-H2O]+ 203.09328 138.2
[M+HCOO]- 265.09422 164.5
[M+CH3COO]- 279.10987 158.3
[M+Na-2H]- 241.07069 149.4
[M]+ 220.09547 144.2
[M]- 220.09657 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