CID 135442880

[(4s,7s)-4-(6-aminopurin-3-yl)-6-oxaspiro[2.4]heptan-7-yl]methanol

Structural Information

Molecular Formula
C12H15N5O2
SMILES
C1CC12[C@@H](CO[C@@H]2CO)N3C=NC(=N)C4=C3N=CN4
InChI
InChI=1S/C12H15N5O2/c13-10-9-11(15-5-14-9)17(6-16-10)7-4-19-8(3-18)12(7)1-2-12/h5-8,13,18H,1-4H2,(H,14,15)/t7-,8-/m1/s1
InChIKey
UHILAELFXQBDLT-HTQZYQBOSA-N
Compound name
[(4S,7S)-7-(6-imino-7H-purin-3-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

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 163.8
[M+Na]+ 284.11182 176.2
[M-H]- 260.11532 168.1
[M+NH4]+ 279.15642 174.6
[M+K]+ 300.08576 170.1
[M+H-H2O]+ 244.11986 156.5
[M+HCOO]- 306.12080 180.9
[M+CH3COO]- 320.13645 174.6
[M+Na-2H]- 282.09727 168.0
[M]+ 261.12205 165.2
[M]- 261.12315 165.2
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.