CID 473796

[(1r,2s,5s)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol

Structural Information

Molecular Formula
C13H17N5O2
SMILES
C1[C@@H](C=C[C@@H]([C@@H]1CO)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C13H17N5O2/c14-12-11-13(16-6-15-12)18(7-17-11)10-2-1-8(4-19)9(3-10)5-20/h1-2,6-10,19-20H,3-5H2,(H2,14,15,16)/t8-,9+,10-/m1/s1
InChIKey
IILLYOGSYOYZRU-KXUCPTDWSA-N
Compound name
[(1R,2S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.1382 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14548 163.4
[M+Na]+ 298.12742 172.5
[M-H]- 274.13092 163.5
[M+NH4]+ 293.17202 175.4
[M+K]+ 314.10136 166.7
[M+H-H2O]+ 258.13546 154.0
[M+HCOO]- 320.13640 179.7
[M+CH3COO]- 334.15205 173.3
[M+Na-2H]- 296.11287 167.0
[M]+ 275.13765 161.5
[M]- 275.13875 161.5
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.