CID 64975

7057-48-9

Structural Information

Molecular Formula
C10H11N5O2
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H11N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m0/s1
InChIKey
JFUOUIPRAAGUGF-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

341
Patents

233.09128 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09856 148.1
[M+Na]+ 256.08050 159.0
[M-H]- 232.08400 150.9
[M+NH4]+ 251.12510 162.9
[M+K]+ 272.05444 156.0
[M+H-H2O]+ 216.08854 139.6
[M+HCOO]- 278.08948 168.3
[M+CH3COO]- 292.10513 160.6
[M+Na-2H]- 254.06595 152.8
[M]+ 233.09073 149.5
[M]- 233.09183 149.5
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