CID 135436148

Nsc710433

Structural Information

Molecular Formula
C13H18N4O2
SMILES
CC1([C@H](C[C@H]1N2C=NC3=C2N=CNC3=O)CCO)C
InChI
InChI=1S/C13H18N4O2/c1-13(2)8(3-4-18)5-9(13)17-7-16-10-11(17)14-6-15-12(10)19/h6-9,18H,3-5H2,1-2H3,(H,14,15,19)/t8-,9+/m0/s1
InChIKey
VYOGOXGOPVNSFN-DTWKUNHWSA-N
Compound name
9-[(1R,3R)-3-(2-hydroxyethyl)-2,2-dimethylcyclobutyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.14297 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15025 162.1
[M+Na]+ 285.13219 172.0
[M-H]- 261.13569 162.8
[M+NH4]+ 280.17679 171.1
[M+K]+ 301.10613 169.6
[M+H-H2O]+ 245.14023 149.2
[M+HCOO]- 307.14117 177.7
[M+CH3COO]- 321.15682 195.5
[M+Na-2H]- 283.11764 165.7
[M]+ 262.14242 172.3
[M]- 262.14352 172.3
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.