CID 135446930

102728-64-3

Structural Information

Molecular Formula

C₁₀H₁₃N₅O₄

SMILES

CC(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N

InChI

InChI=1S/C10H13N5O4/c1-6(16)19-3-2-18-5-15-4-12-7-8(15)13-10(11)14-9(7)17/h4H,2-3,5H2,1H3,(H3,11,13,14,17)

InChIKey

DMHAXLGAKQREIL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 66
Patents: 267.09674 Da
Monoisotopic Mass: -1.3
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]+	268.10402	157.3
[M+Na]+	290.08596	167.7
[M+NH4]+	285.13056	160.9
[M+K]+	306.05990	166.5
[M-H]-	266.08946	154.7
[M+Na-2H]-	288.07141	159.8
[M]+	267.09619	157.4
[M]-	267.09729	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe