CID 16074534

[(2r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-oxazolidin-2-yl]methanol

Structural Information

Molecular Formula
C9H12N6O3
SMILES
C1[C@@H](O[C@@H](N1O)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H12N6O3/c10-8-7-9(12-3-11-8)14(4-13-7)5-1-15(17)6(2-16)18-5/h3-6,16-17H,1-2H2,(H2,10,11,12)/t5-,6-/m1/s1
InChIKey
ZWOPCCYJHWFCDE-PHDIDXHHSA-N
Compound name
[(2R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-1,3-oxazolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.09709 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10437 153.8
[M+Na]+ 275.08631 164.3
[M-H]- 251.08981 154.3
[M+NH4]+ 270.13091 165.9
[M+K]+ 291.06025 161.3
[M+H-H2O]+ 235.09435 145.2
[M+HCOO]- 297.09529 170.2
[M+CH3COO]- 311.11094 164.8
[M+Na-2H]- 273.07176 156.7
[M]+ 252.09654 154.0
[M]- 252.09764 154.0
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.