CID 135459820

88110-89-8

Structural Information

Molecular Formula

C₁₁H₁₅N₅O₅

SMILES

CC(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N

InChI

InChI=1S/C11H15N5O5/c1-6(18)20-3-7(2-17)21-5-16-4-13-8-9(16)14-11(12)15-10(8)19/h4,7,17H,2-3,5H2,1H3,(H3,12,14,15,19)

InChIKey

YKLKCCHLLFMWQE-UHFFFAOYSA-N

Compound name

[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 297.10733 Da
Monoisotopic Mass: -2.0
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]+	298.11461	164.5
[M+Na]+	320.09655	173.2
[M+NH4]+	315.14115	166.8
[M+K]+	336.07049	173.6
[M-H]-	296.10005	160.7
[M+Na-2H]-	318.08200	165.4
[M]+	297.10678	163.9
[M]-	297.10788	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe