CID 481606

[(2r,4s)-4-(6-aminopurin-9-yl)oxy-1,3-dioxolan-2-yl]methanol

Structural Information

Molecular Formula
C9H11N5O4
SMILES
C1[C@@H](O[C@@H](O1)CO)ON2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H11N5O4/c10-8-7-9(12-3-11-8)14(4-13-7)18-6-2-16-5(1-15)17-6/h3-6,15H,1-2H2,(H2,10,11,12)/t5-,6+/m1/s1
InChIKey
DUXQOTRLIQRIIU-RITPCOANSA-N
Compound name
[(2R,4S)-4-(6-aminopurin-9-yl)oxy-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.0811 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08838 150.5
[M+Na]+ 276.07032 160.5
[M-H]- 252.07382 153.7
[M+NH4]+ 271.11492 162.8
[M+K]+ 292.04426 159.9
[M+H-H2O]+ 236.07836 142.1
[M+HCOO]- 298.07930 168.9
[M+CH3COO]- 312.09495 162.5
[M+Na-2H]- 274.05577 155.2
[M]+ 253.08055 153.5
[M]- 253.08165 153.5
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.