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]+ 250.12985 153.7
[M+Na]+ 272.11179 163.1
[M-H]- 248.11529 156.4
[M+NH4]+ 267.15639 168.0
[M+K]+ 288.08573 160.5
[M+H-H2O]+ 232.11983 144.9
[M+HCOO]- 294.12077 172.7
[M+CH3COO]- 308.13642 165.4
[M+Na-2H]- 270.09724 157.9
[M]+ 249.12202 155.0
[M]- 249.12312 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.