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

literature stripe

Patent stripe

patents stripe