CID 86680700

1352624-30-6

Structural Information

Molecular Formula

C₁₀H₁₄NO₅P

SMILES

COC1=C(C=CC=N1)C(=O)CP(=O)(OC)OC

InChI

InChI=1S/C10H14NO5P/c1-14-10-8(5-4-6-11-10)9(12)7-17(13,15-2)16-3/h4-6H,7H2,1-3H3

InChIKey

CUGRUHJDEYXNRD-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphoryl-1-(2-methoxypyridin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 259.06097 Da
Monoisotopic Mass: 0.1
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]+	260.06825	155.2
[M+Na]+	282.05019	162.8
[M-H]-	258.05369	156.5
[M+NH4]+	277.09479	171.2
[M+K]+	298.02413	163.0
[M+H-H2O]+	242.05823	146.1
[M+HCOO]-	304.05917	182.2
[M+CH3COO]-	318.07482	194.8
[M+Na-2H]-	280.03564	158.5
[M]+	259.06042	162.4
[M]-	259.06152	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe