CID 490438

(-)-1,2-cyclopentanediol, 3-(6-amino-9h-purin-9-yl)-5-(methylthio)-, (1s,2s,3r,5s)-

Structural Information

Molecular Formula
C11H15N5O2S
SMILES
CS[C@H]1C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O2S/c1-19-6-2-5(8(17)9(6)18)16-4-15-7-10(12)13-3-14-11(7)16/h3-6,8-9,17-18H,2H2,1H3,(H2,12,13,14)/t5-,6+,8+,9-/m1/s1
InChIKey
MIRJDLOIFAMHTF-CRYJXSNHSA-N
Compound name
(1S,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylsulfanylcyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10192 161.5
[M+Na]+ 304.08386 172.9
[M-H]- 280.08736 163.0
[M+NH4]+ 299.12846 176.5
[M+K]+ 320.05780 167.7
[M+H-H2O]+ 264.09190 154.9
[M+HCOO]- 326.09284 174.7
[M+CH3COO]- 340.10849 172.6
[M+Na-2H]- 302.06931 160.1
[M]+ 281.09409 163.1
[M]- 281.09519 163.1
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.