CID 451450

Ddmea

Structural Information

Molecular Formula
C11H15N5O2
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C11H15N5O2/c1-12-10-9-11(14-5-13-10)16(6-15-9)8-3-2-7(4-17)18-8/h5-8,17H,2-4H2,1H3,(H,12,13,14)/t7-,8+/m0/s1
InChIKey
ODPGJSIBNBRBDT-JGVFFNPUSA-N
Compound name
[(2S,5R)-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

130
Patents

249.12257 Da
Monoisotopic Mass

-0.8
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

literature stripe

Patent stripe

patents stripe