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]+ 246.13494 162.4
[M+Na]+ 268.11688 175.4
[M-H]- 244.12038 165.8
[M+NH4]+ 263.16148 174.7
[M+K]+ 284.09082 167.7
[M+H-H2O]+ 228.12492 154.8
[M+HCOO]- 290.12586 181.1
[M+CH3COO]- 304.14151 173.6
[M+Na-2H]- 266.10233 164.9
[M]+ 245.12711 165.1
[M]- 245.12821 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.