CID 135480738

8'-me-pmeg

Structural Information

Molecular Formula

C₉H₁₄N₅O₅P

SMILES

CC1=NC2=C(N1CCOCP(=O)(O)O)N=C(NC2=O)N

InChI

InChI=1S/C9H14N5O5P/c1-5-11-6-7(12-9(10)13-8(6)15)14(5)2-3-19-4-20(16,17)18/h2-4H2,1H3,(H2,16,17,18)(H3,10,12,13,15)

InChIKey

PYZHSUMOIMKOSJ-UHFFFAOYSA-N

Compound name

2-(2-amino-8-methyl-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 303.07324 Da
Monoisotopic Mass: -2.7
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]+	304.08052	167.2
[M+Na]+	326.06246	176.8
[M-H]-	302.06596	162.6
[M+NH4]+	321.10706	177.9
[M+K]+	342.03640	173.5
[M+H-H2O]+	286.07050	157.4
[M+HCOO]-	348.07144	188.6
[M+CH3COO]-	362.08709	198.6
[M+Na-2H]-	324.04791	169.4
[M]+	303.07269	169.9
[M]-	303.07379	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe