CID 230742

5h,6h,7h-cyclopenta[d]pyrimidine-2,4-diol

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CC2=C(C1)NC(=O)NC2=O
InChI
InChI=1S/C7H8N2O2/c10-6-4-2-1-3-5(4)8-7(11)9-6/h1-3H2,(H2,8,9,10,11)
InChIKey
UPLURGSDLNKCSU-UHFFFAOYSA-N
Compound name
1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

157
Patents

152.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 127.5
[M+Na]+ 175.04780 137.7
[M-H]- 151.05130 127.3
[M+NH4]+ 170.09240 147.7
[M+K]+ 191.02174 133.6
[M+H-H2O]+ 135.05584 121.6
[M+HCOO]- 197.05678 147.1
[M+CH3COO]- 211.07243 168.1
[M+Na-2H]- 173.03325 133.9
[M]+ 152.05803 124.4
[M]- 152.05913 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe