CID 469791

[(3s,5s)-3-amino-5-(6-aminopurin-9-yl)tetrahydrofuran-3-yl]methanol

Structural Information

Molecular Formula
C10H14N6O2
SMILES
C1[C@H](OC[C@]1(CO)N)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H14N6O2/c11-8-7-9(14-4-13-8)16(5-15-7)6-1-10(12,2-17)3-18-6/h4-6,17H,1-3,12H2,(H2,11,13,14)/t6-,10-/m0/s1
InChIKey
BLRFMMIYIKDCPW-WKEGUHRASA-N
Compound name
[(3S,5S)-3-amino-5-(6-aminopurin-9-yl)oxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.11783 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 151.0
[M+Na]+ 273.10705 161.0
[M-H]- 249.11055 153.5
[M+NH4]+ 268.15165 166.5
[M+K]+ 289.08099 158.2
[M+H-H2O]+ 233.11509 142.7
[M+HCOO]- 295.11603 170.3
[M+CH3COO]- 309.13168 162.7
[M+Na-2H]- 271.09250 156.0
[M]+ 250.11728 149.9
[M]- 250.11838 149.9
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.