CID 135537308

2-amino-9-[(2s,4r)-2-(hydroxymethyl)-4-bicyclo[3.1.0]hexanyl]purin-6-ol

Structural Information

Molecular Formula
C12H15N5O2
SMILES
C1[C@@H](C2CC2[C@@H]1N3C=NC4=C3N=C(NC4=O)N)CO
InChI
InChI=1S/C12H15N5O2/c13-12-15-10-9(11(19)16-12)14-4-17(10)8-1-5(3-18)6-2-7(6)8/h4-8,18H,1-3H2,(H3,13,15,16,19)/t5-,6?,7?,8-/m1/s1
InChIKey
UQUICTSDUBCLJQ-LFHVAVFRSA-N
Compound name
2-amino-9-[(2R,4S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.1226 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 165.5
[M+Na]+ 284.11182 178.9
[M-H]- 260.11532 168.0
[M+NH4]+ 279.15642 176.6
[M+K]+ 300.08576 170.2
[M+H-H2O]+ 244.11986 158.6
[M+HCOO]- 306.12080 182.9
[M+CH3COO]- 320.13645 176.1
[M+Na-2H]- 282.09727 167.0
[M]+ 261.12205 167.7
[M]- 261.12315 167.7
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.