CID 135508719

C-l-d2i

Structural Information

Molecular Formula
C11H14N4O2
SMILES
C1C[C@H](C[C@H]1CO)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C11H14N4O2/c16-4-7-1-2-8(3-7)15-6-14-9-10(15)12-5-13-11(9)17/h5-8,16H,1-4H2,(H,12,13,17)/t7-,8+/m0/s1
InChIKey
OWBYMOPAAVGKEM-JGVFFNPUSA-N
Compound name
9-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

234.11168 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 151.0
[M+Na]+ 257.10090 161.0
[M-H]- 233.10440 151.8
[M+NH4]+ 252.14550 166.8
[M+K]+ 273.07484 156.1
[M+H-H2O]+ 217.10894 142.6
[M+HCOO]- 279.10988 168.5
[M+CH3COO]- 293.12553 162.4
[M+Na-2H]- 255.08635 153.5
[M]+ 234.11113 149.8
[M]- 234.11223 149.8
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

No patent data available for this compound.