CID 454979

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

Structural Information

Molecular Formula
C9H11N5O3
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H11N5O3/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-16-6(1-15)17-5/h3-6,15H,1-2H2,(H2,10,11,12)/t5-,6-/m1/s1
InChIKey
MLECVCUUYSNNAI-PHDIDXHHSA-N
Compound name
[(2R,4R)-4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

237.08618 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09346 148.7
[M+Na]+ 260.07540 159.0
[M-H]- 236.07890 151.8
[M+NH4]+ 255.12000 161.8
[M+K]+ 276.04934 157.8
[M+H-H2O]+ 220.08344 140.4
[M+HCOO]- 282.08438 166.9
[M+CH3COO]- 296.10003 160.9
[M+Na-2H]- 258.06085 153.2
[M]+ 237.08563 150.3
[M]- 237.08673 150.3
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.