CID 493016

[(2s,4r)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol

Structural Information

Molecular Formula
C12H15N5O
SMILES
C1[C@@H](C2CC2[C@@H]1N3C=NC4=C(N=CN=C43)N)CO
InChI
InChI=1S/C12H15N5O/c13-11-10-12(15-4-14-11)17(5-16-10)9-1-6(3-18)7-2-8(7)9/h4-9,18H,1-3H2,(H2,13,14,15)/t6-,7?,8?,9-/m1/s1
InChIKey
UQUQBAQHGSXMEI-MDVIFZSFSA-N
Compound name
[(2S,4R)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

245.12766 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.134936 162.4
[M+Na]+ 268.116878 175.4
[M-H]- 244.120384 165.8
[M+NH4]+ 263.161483 174.7
[M+K]+ 284.090818 167.7
[M+H-H2O]+ 228.124920 154.8
[M+HCOO]- 290.125861 181.1
[M+CH3COO]- 304.141511 173.6
[M+Na-2H]- 266.102326 164.9
[M]+ 245.12711142 165.1
[M]- 245.12820858 165.1
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.