CID 135508881

Chembl287512

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C1C[C@H]([C@H](C1)N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C11H15N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-3-1-2-6(7)4-17/h5-7,17H,1-4H2,(H3,12,14,15,18)/t6-,7-/m0/s1
InChIKey
MEZRKQQCOBQFMS-BQBZGAKWSA-N
Compound name
2-amino-9-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.12257 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12985 154.5
[M+Na]+ 272.11179 164.5
[M-H]- 248.11529 155.4
[M+NH4]+ 267.15639 169.4
[M+K]+ 288.08573 159.3
[M+H-H2O]+ 232.11983 146.2
[M+HCOO]- 294.12077 172.5
[M+CH3COO]- 308.13642 165.5
[M+Na-2H]- 270.09724 156.3
[M]+ 249.12202 152.2
[M]- 249.12312 152.2
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.