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]+ 250.12985 152.9
[M+Na]+ 272.11179 163.4
[M-H]- 248.11529 155.6
[M+NH4]+ 267.15639 169.1
[M+K]+ 288.08573 160.7
[M+H-H2O]+ 232.11983 144.7
[M+HCOO]- 294.12077 171.5
[M+CH3COO]- 308.13642 164.9
[M+Na-2H]- 270.09724 157.4
[M]+ 249.12202 153.7
[M]- 249.12312 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.