CID 515223

5-(6-amino-purin-9-yl)-4-hydroxy-tetrahydro-furan-2-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.08618 Da
Monoisotopic Mass

-1.0
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

No patent data available for this compound.