CID 3058996

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

Structural Information

Molecular Formula
C8H8N4O2
SMILES
C1CC1N2C3=C(C(=O)NC2=O)NC=N3
InChI
InChI=1S/C8H8N4O2/c13-7-5-6(10-3-9-5)12(4-1-2-4)8(14)11-7/h3-4H,1-2H2,(H,9,10)(H,11,13,14)
InChIKey
NHFCELOARWLFPC-UHFFFAOYSA-N
Compound name
3-cyclopropyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

192.06473 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07201 150.1
[M+Na]+ 215.05395 164.5
[M-H]- 191.05745 151.8
[M+NH4]+ 210.09855 161.3
[M+K]+ 231.02789 156.8
[M+H-H2O]+ 175.06199 142.2
[M+HCOO]- 237.06293 169.6
[M+CH3COO]- 251.07858 162.0
[M+Na-2H]- 213.03940 155.7
[M]+ 192.06418 152.3
[M]- 192.06528 152.3
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