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]+ 250.09346 152.4
[M+Na]+ 272.07540 163.3
[M-H]- 248.07890 155.4
[M+NH4]+ 267.12000 166.6
[M+K]+ 288.04934 160.5
[M+H-H2O]+ 232.08344 144.2
[M+HCOO]- 294.08438 171.5
[M+CH3COO]- 308.10003 164.5
[M+Na-2H]- 270.06085 155.5
[M]+ 249.08563 153.5
[M]- 249.08673 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.