CID 473797

[(1s,2r,4r)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclohexyl]methanol

Structural Information

Molecular Formula
C13H19N5O2
SMILES
C1C[C@@H]([C@@H](C[C@@H]1N2C=NC3=C(N=CN=C32)N)CO)CO
InChI
InChI=1S/C13H19N5O2/c14-12-11-13(16-6-15-12)18(7-17-11)10-2-1-8(4-19)9(3-10)5-20/h6-10,19-20H,1-5H2,(H2,14,15,16)/t8-,9+,10-/m1/s1
InChIKey
IVYAVAYXOJMFDZ-KXUCPTDWSA-N
Compound name
[(1S,2R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.15387 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16115 164.7
[M+Na]+ 300.14309 172.8
[M-H]- 276.14659 164.4
[M+NH4]+ 295.18769 176.5
[M+K]+ 316.11703 167.3
[M+H-H2O]+ 260.15113 155.3
[M+HCOO]- 322.15207 179.5
[M+CH3COO]- 336.16772 174.0
[M+Na-2H]- 298.12854 167.3
[M]+ 277.15332 161.5
[M]- 277.15442 161.5
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.