CID 473652

[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydropyran-4-yl]methanol

Structural Information

Molecular Formula
C12H17N5O3
SMILES
C1C(C(COC1N2C=NC3=C(N=CN=C32)N)CO)CO
InChI
InChI=1S/C12H17N5O3/c13-11-10-12(15-5-14-11)17(6-16-10)9-1-7(2-18)8(3-19)4-20-9/h5-9,18-19H,1-4H2,(H2,13,14,15)
InChIKey
VQYIFUZFLMIHQD-UHFFFAOYSA-N
Compound name
[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13315 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14043 164.0
[M+Na]+ 302.12237 172.6
[M-H]- 278.12587 164.5
[M+NH4]+ 297.16697 174.4
[M+K]+ 318.09631 168.7
[M+H-H2O]+ 262.13041 154.7
[M+HCOO]- 324.13135 178.4
[M+CH3COO]- 338.14700 173.7
[M+Na-2H]- 300.10782 167.5
[M]+ 279.13260 162.4
[M]- 279.13370 162.4
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.