CID 49767743

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

Structural Information

Molecular Formula
C10H14N6O3
SMILES
CNC1=C2C(=NC(=N1)N)N(C=N2)[C@H]3CO[C@H](O3)CO
InChI
InChI=1S/C10H14N6O3/c1-12-8-7-9(15-10(11)14-8)16(4-13-7)5-3-18-6(2-17)19-5/h4-6,17H,2-3H2,1H3,(H3,11,12,14,15)/t5-,6-/m1/s1
InChIKey
LMUWINKZRNWGTM-PHDIDXHHSA-N
Compound name
[(2R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11273 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 157.8
[M+Na]+ 289.10195 167.5
[M-H]- 265.10545 161.3
[M+NH4]+ 284.14655 169.7
[M+K]+ 305.07589 166.0
[M+H-H2O]+ 249.10999 149.2
[M+HCOO]- 311.11093 176.6
[M+CH3COO]- 325.12658 169.3
[M+Na-2H]- 287.08740 161.8
[M]+ 266.11218 159.5
[M]- 266.11328 159.5
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.