CID 513716

132065-10-2

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C1[C@@H]([C@H](CC1N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C10H13N5O2/c11-9-8-10(13-3-12-9)15(4-14-8)5-1-6(16)7(17)2-5/h3-7,16-17H,1-2H2,(H2,11,12,13)/t6-,7-/m0/s1
InChIKey
HQDRMBMYUFTHKP-BQBZGAKWSA-N
Compound name
(1S,2S)-4-(6-aminopurin-9-yl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.10692 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 150.2
[M+Na]+ 258.09614 160.4
[M-H]- 234.09964 151.3
[M+NH4]+ 253.14074 165.8
[M+K]+ 274.07008 156.0
[M+H-H2O]+ 218.10418 142.1
[M+HCOO]- 280.10512 168.5
[M+CH3COO]- 294.12077 161.7
[M+Na-2H]- 256.08159 152.6
[M]+ 235.10637 148.3
[M]- 235.10747 148.3
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.