CID 515224

Schembl8653483

Structural Information

Molecular Formula
C10H11N5O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)C=O)O
InChI
InChI=1S/C10H11N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h2-7,17H,1H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
InChIKey
RCDFJAGJTPJMSL-RRKCRQDMSA-N
Compound name
(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

249.08618 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.093456 152.4
[M+Na]+ 272.075398 163.3
[M-H]- 248.078904 155.4
[M+NH4]+ 267.120003 166.6
[M+K]+ 288.049338 160.5
[M+H-H2O]+ 232.083440 144.2
[M+HCOO]- 294.084381 171.5
[M+CH3COO]- 308.100031 164.5
[M+Na-2H]- 270.060846 155.5
[M]+ 249.08563142 153.5
[M]- 249.08672858 153.5
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

patents stripe