CID 55256

Desciclovir

Structural Information

Molecular Formula

C₈H₁₁N₅O₂

SMILES

C1=C2C(=NC(=N1)N)N(C=N2)COCCO

InChI

InChI=1S/C8H11N5O2/c9-8-10-3-6-7(12-8)13(4-11-6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,12)

InChIKey

OKQHSIGMOWQUIK-UHFFFAOYSA-N

Compound name

2-[(2-aminopurin-9-yl)methoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 26
References: 2479
Patents: 209.09128 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.098556	142.6
[M+Na]+	232.080498	153.3
[M-H]-	208.084004	141.0
[M+NH4]+	227.125103	158.0
[M+K]+	248.054438	149.9
[M+H-H2O]+	192.088540	134.0
[M+HCOO]-	254.089481	163.6
[M+CH3COO]-	268.105131	184.9
[M+Na-2H]-	230.065946	150.4
[M]+	209.09073142	145.3
[M]-	209.09182858	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe