CID 454157

6menh-ddisonucl

Structural Information

Molecular Formula
C11H15N5O2
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@@H]3C[C@@H](OC3)CO
InChI
InChI=1S/C11H15N5O2/c1-12-10-9-11(14-5-13-10)16(6-15-9)7-2-8(3-17)18-4-7/h5-8,17H,2-4H2,1H3,(H,12,13,14)/t7-,8-/m1/s1
InChIKey
PWNLKPHUDVBLHG-HTQZYQBOSA-N
Compound name
[(2R,4R)-4-[6-(methylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.12257 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.129846 153.7
[M+Na]+ 272.111788 163.1
[M-H]- 248.115294 156.4
[M+NH4]+ 267.156393 168.0
[M+K]+ 288.085728 160.5
[M+H-H2O]+ 232.119830 144.9
[M+HCOO]- 294.120771 172.7
[M+CH3COO]- 308.136421 165.4
[M+Na-2H]- 270.097236 157.9
[M]+ 249.12202142 155.0
[M]- 249.12311858 155.0
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.