CID 477507

[(2s,3s,5s)-5-(6-aminopurin-9-yl)spiro[2.2]pentan-2-yl]methanol

Structural Information

Molecular Formula
C11H13N5O
SMILES
C1[C@@H]([C@@]12C[C@@H]2N3C=NC4=C(N=CN=C43)N)CO
InChI
InChI=1S/C11H13N5O/c12-9-8-10(14-4-13-9)16(5-15-8)7-2-11(7)1-6(11)3-17/h4-7,17H,1-3H2,(H2,12,13,14)/t6-,7+,11+/m1/s1
InChIKey
HJGHXNVZQPVLQF-BUYFANAVSA-N
Compound name
[(2S,3S,5S)-2-(6-aminopurin-9-yl)spiro[2.2]pentan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

231.11201 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11929 178.2
[M+Na]+ 254.10123 190.0
[M-H]- 230.10473 182.0
[M+NH4]+ 249.14583 184.1
[M+K]+ 270.07517 183.7
[M+H-H2O]+ 214.10927 171.7
[M+HCOO]- 276.11021 194.9
[M+CH3COO]- 290.12586 186.5
[M+Na-2H]- 252.08668 180.8
[M]+ 231.11146 182.2
[M]- 231.11256 182.2
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.