CID 455077

[(3s,5s)-5-(6-aminopurin-9-yl)-3-methyl-tetrahydrofuran-3-yl]methanol

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C[C@]1(C[C@H](OC1)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C11H15N5O2/c1-11(3-17)2-7(18-4-11)16-6-15-8-9(12)13-5-14-10(8)16/h5-7,17H,2-4H2,1H3,(H2,12,13,14)/t7-,11-/m0/s1
InChIKey
AQJXMPRODLGONI-CPCISQLKSA-N
Compound name
[(3S,5S)-5-(6-aminopurin-9-yl)-3-methyloxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.12257 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.129846 152.9
[M+Na]+ 272.111788 163.4
[M-H]- 248.115294 155.6
[M+NH4]+ 267.156393 169.1
[M+K]+ 288.085728 160.7
[M+H-H2O]+ 232.119830 144.7
[M+HCOO]- 294.120771 171.5
[M+CH3COO]- 308.136421 164.9
[M+Na-2H]- 270.097236 157.4
[M]+ 249.12202142 153.7
[M]- 249.12311858 153.7
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.