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]+ 246.13494 155.1
[M+Na]+ 268.11688 164.5
[M-H]- 244.12038 156.3
[M+NH4]+ 263.16148 168.8
[M+K]+ 284.09082 159.0
[M+H-H2O]+ 228.12492 145.5
[M+HCOO]- 290.12586 173.1
[M+CH3COO]- 304.14151 166.0
[M+Na-2H]- 266.10233 160.4
[M]+ 245.12711 152.9
[M]- 245.12821 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.