CID 73651

125409-63-4

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C1C[C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C10H13N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h3-6,8,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,8+/m1/s1
InChIKey
CZASVOKHBMDKGF-JKMUOGBPSA-N
Compound name
(1R,2S,3R)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

39
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 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

patents stripe