CID 515249

(1s,2r,3s)-3-(6-amino-7,8-dihydropurin-9-yl)cyclopentane-1,2-diol

Structural Information

Molecular Formula
C10H15N5O2
SMILES
C1C[C@@H]([C@@H]([C@H]1N2CNC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C10H15N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h3,5-6,8,14,16-17H,1-2,4H2,(H2,11,12,13)/t5-,6-,8+/m0/s1
InChIKey
UCOBOPCODYANNJ-VMHSAVOQSA-N
Compound name
(1S,2R,3S)-3-(6-amino-7,8-dihydropurin-9-yl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.12257 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12985 153.4
[M+Na]+ 260.11179 161.1
[M-H]- 236.11529 152.3
[M+NH4]+ 255.15639 167.9
[M+K]+ 276.08573 156.5
[M+H-H2O]+ 220.11983 145.4
[M+HCOO]- 282.12077 167.2
[M+CH3COO]- 296.13642 163.1
[M+Na-2H]- 258.09724 153.4
[M]+ 237.12202 146.9
[M]- 237.12312 146.9
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.