CID 503162

[(1r,2s)-2-(6-aminopurin-9-yl)cyclopentyl]methanol

Structural Information

Molecular Formula
C11H15N5O
SMILES
C1C[C@H]([C@H](C1)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C11H15N5O/c12-10-9-11(14-5-13-10)16(6-15-9)8-3-1-2-7(8)4-17/h5-8,17H,1-4H2,(H2,12,13,14)/t7-,8-/m0/s1
InChIKey
SKHQGPMILDEHMB-YUMQZZPRSA-N
Compound name
[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.12766 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.134936 150.8
[M+Na]+ 256.116878 160.3
[M-H]- 232.120384 152.5
[M+NH4]+ 251.161483 166.9
[M+K]+ 272.090818 155.9
[M+H-H2O]+ 216.124920 141.9
[M+HCOO]- 278.125861 170.0
[M+CH3COO]- 292.141511 162.3
[M+Na-2H]- 254.102326 153.7
[M]+ 233.12711142 149.2
[M]- 233.12820858 149.2
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.