CID 165600

7403-25-0

Structural Information

Molecular Formula
C10H14N6O2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)N
InChI
InChI=1S/C10H14N6O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2,11H2,(H2,12,13,14)/t5-,6+,7+/m0/s1
InChIKey
MVAJRASUDLEWKZ-RRKCRQDMSA-N
Compound name
[(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

72
Patents

250.11783 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 153.5
[M+Na]+ 273.10705 163.4
[M-H]- 249.11055 156.1
[M+NH4]+ 268.15165 167.3
[M+K]+ 289.08099 160.3
[M+H-H2O]+ 233.11509 144.9
[M+HCOO]- 295.11603 172.7
[M+CH3COO]- 309.13168 165.0
[M+Na-2H]- 271.09250 156.4
[M]+ 250.11728 152.4
[M]- 250.11838 152.4
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