CID 5271016

(1r,2s,3r,5s)-3-(6-aminopurin-9-yl)-5-(methylamino)cyclopentane-1,2-diol

Structural Information

Molecular Formula
C11H16N6O2
SMILES
CN[C@H]1C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H16N6O2/c1-13-5-2-6(9(19)8(5)18)17-4-16-7-10(12)14-3-15-11(7)17/h3-6,8-9,13,18-19H,2H2,1H3,(H2,12,14,15)/t5-,6+,8+,9-/m0/s1
InChIKey
VBBDCIKRGBDUJK-LWIVVEGESA-N
Compound name
(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-(methylamino)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.13348 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14076 157.7
[M+Na]+ 287.12270 167.4
[M-H]- 263.12620 159.1
[M+NH4]+ 282.16730 172.0
[M+K]+ 303.09664 162.9
[M+H-H2O]+ 247.13074 149.4
[M+HCOO]- 309.13168 176.7
[M+CH3COO]- 323.14733 168.6
[M+Na-2H]- 285.10815 159.8
[M]+ 264.13293 156.0
[M]- 264.13403 156.0
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.