CID 472246

116384-54-4

Structural Information

Molecular Formula

C₁₀H₁₆N₅O₄P

SMILES

CCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C10H16N5O4P/c1-2-19-20(16,17)7-18-4-3-15-6-14-8-9(11)12-5-13-10(8)15/h5-6H,2-4,7H2,1H3,(H,16,17)(H2,11,12,13)

InChIKey

MRBIAWVMKIZTRX-UHFFFAOYSA-N

Compound name

2-(6-aminopurin-9-yl)ethoxymethyl-ethoxyphosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 301.094 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]+	302.10128	167.2
[M+Na]+	324.08322	175.5
[M-H]-	300.08672	164.2
[M+NH4]+	319.12782	178.9
[M+K]+	340.05716	173.4
[M+H-H2O]+	284.09126	156.0
[M+HCOO]-	346.09220	191.0
[M+CH3COO]-	360.10785	201.8
[M+Na-2H]-	322.06867	171.0
[M]+	301.09345	172.4
[M]-	301.09455	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe