CID 478848

Chembl26364

Structural Information

Molecular Formula
C11H16N6O
SMILES
C1C[C@H]([C@H](C1)N2C=NC3=C(N=C(N=C32)N)N)CO
InChI
InChI=1S/C11H16N6O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-3-1-2-6(7)4-18/h5-7,18H,1-4H2,(H4,12,13,15,16)/t6-,7-/m0/s1
InChIKey
ZJDARMHFLVJVAY-BQBZGAKWSA-N
Compound name
[(1R,2S)-2-(2,6-diaminopurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.13857 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14585 154.0
[M+Na]+ 271.12779 163.5
[M-H]- 247.13129 155.8
[M+NH4]+ 266.17239 169.2
[M+K]+ 287.10173 158.8
[M+H-H2O]+ 231.13583 145.2
[M+HCOO]- 293.13677 173.7
[M+CH3COO]- 307.15242 165.2
[M+Na-2H]- 269.11324 156.2
[M]+ 248.13802 151.3
[M]- 248.13912 151.3
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.