CID 515250

(1r,2s,5s)-5-(6-amino-7,8-dihydropurin-9-yl)cyclopent-3-ene-1,2-diol

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C1NC2=C(N=CN=C2N1[C@H]3C=C[C@@H]([C@@H]3O)O)N
InChI
InChI=1S/C10H13N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-3,5-6,8,14,16-17H,4H2,(H2,11,12,13)/t5-,6-,8+/m0/s1
InChIKey
UJKXZGFFMPWPQM-VMHSAVOQSA-N
Compound name
(1R,2S,5S)-5-(6-amino-7,8-dihydropurin-9-yl)cyclopent-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.10692 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 151.7
[M+Na]+ 258.09614 160.5
[M-H]- 234.09964 151.1
[M+NH4]+ 253.14074 166.4
[M+K]+ 274.07008 155.6
[M+H-H2O]+ 218.10418 143.8
[M+HCOO]- 280.10512 167.0
[M+CH3COO]- 294.12077 162.0
[M+Na-2H]- 256.08159 152.7
[M]+ 235.10637 146.7
[M]- 235.10747 146.7
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.