CID 469074

[(1r,5r)-5-(6-aminopurin-9-yl)cyclohex-3-en-1-yl]methanol

Structural Information

Molecular Formula
C12H15N5O
SMILES
C1C=C[C@@H](C[C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C12H15N5O/c13-11-10-12(15-6-14-11)17(7-16-10)9-3-1-2-8(4-9)5-18/h1,3,6-9,18H,2,4-5H2,(H2,13,14,15)/t8-,9+/m1/s1
InChIKey
SFLSLPRBWQYPGY-BDAKNGLRSA-N
Compound name
[(1R,5R)-5-(6-aminopurin-9-yl)cyclohex-3-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.12766 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.134936 155.1
[M+Na]+ 268.116878 164.5
[M-H]- 244.120384 156.3
[M+NH4]+ 263.161483 168.8
[M+K]+ 284.090818 159.0
[M+H-H2O]+ 228.124920 145.5
[M+HCOO]- 290.125861 173.1
[M+CH3COO]- 304.141511 166.0
[M+Na-2H]- 266.102326 160.4
[M]+ 245.12711142 152.9
[M]- 245.12820858 152.9
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.