CID 135474284

Oxa-pmeg

Structural Information

Molecular Formula

C₇H₁₀N₅O₆P

SMILES

C1=NC2=C(N1OCOCP(=O)(O)O)N=C(NC2=O)N

InChI

InChI=1S/C7H10N5O6P/c8-7-10-5-4(6(13)11-7)9-1-12(5)18-2-17-3-19(14,15)16/h1H,2-3H2,(H2,14,15,16)(H3,8,10,11,13)

InChIKey

BDOYELIVRSURFZ-UHFFFAOYSA-N

Compound name

(2-amino-6-oxo-1H-purin-9-yl)oxymethoxymethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 291.03687 Da
Monoisotopic Mass: -2.5
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]+	292.04415	158.5
[M+Na]+	314.02609	167.7
[M-H]-	290.02959	153.8
[M+NH4]+	309.07069	169.1
[M+K]+	330.00003	165.5
[M+H-H2O]+	274.03413	148.5
[M+HCOO]-	336.03507	180.7
[M+CH3COO]-	350.05072	193.8
[M+Na-2H]-	312.01154	162.8
[M]+	291.03632	161.4
[M]-	291.03742	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe