CID 3010201

[(4s,7s)-4-(6-aminopurin-9-yl)-6-oxaspiro[2.4]heptan-7-yl]methanol

Structural Information

Molecular Formula
C12H15N5O2
SMILES
C1CC12[C@@H](CO[C@@H]2CO)N3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C12H15N5O2/c13-10-9-11(15-5-14-10)17(6-16-9)7-4-19-8(3-18)12(7)1-2-12/h5-8,18H,1-4H2,(H2,13,14,15)/t7-,8-/m1/s1
InChIKey
JEBKYPSKYGNOCG-HTQZYQBOSA-N
Compound name
[(4S,7S)-7-(6-aminopurin-9-yl)-5-oxaspiro[2.4]heptan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.1226 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 164.3
[M+Na]+ 284.11182 176.9
[M-H]- 260.11532 169.4
[M+NH4]+ 279.15642 175.6
[M+K]+ 300.08576 171.9
[M+H-H2O]+ 244.11986 156.7
[M+HCOO]- 306.12080 182.1
[M+CH3COO]- 320.13645 175.5
[M+Na-2H]- 282.09727 168.0
[M]+ 261.12205 167.1
[M]- 261.12315 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.