CID 5273919

[(1r,3s)-3-(6-aminopurin-9-yl)cyclohexyl]methanol

Structural Information

Molecular Formula
C12H17N5O
SMILES
C1C[C@H](C[C@H](C1)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C12H17N5O/c13-11-10-12(15-6-14-11)17(7-16-10)9-3-1-2-8(4-9)5-18/h6-9,18H,1-5H2,(H2,13,14,15)/t8-,9+/m1/s1
InChIKey
FIWYQOXINLBEBZ-BDAKNGLRSA-N
Compound name
[(1R,3S)-3-(6-aminopurin-9-yl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.14331 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.15059 156.5
[M+Na]+ 270.13253 164.8
[M-H]- 246.13603 157.3
[M+NH4]+ 265.17713 170.1
[M+K]+ 286.10647 159.7
[M+H-H2O]+ 230.14057 146.8
[M+HCOO]- 292.14151 173.1
[M+CH3COO]- 306.15716 166.8
[M+Na-2H]- 268.11798 160.7
[M]+ 247.14276 152.9
[M]- 247.14386 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.