CID 217993

39996-87-7

Structural Information

Molecular Formula

C₁₀H₁₆NO₃P

SMILES

CCOP(=O)(CC1=CC=CC=N1)OCC

InChI

InChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)9-10-7-5-6-8-11-10/h5-8H,3-4,9H2,1-2H3

InChIKey

LJIHMNONXSBZCU-UHFFFAOYSA-N

Compound name

2-(diethoxyphosphorylmethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 80
Patents: 229.08678 Da
Monoisotopic Mass: 0.7
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]+	230.09406	151.0
[M+Na]+	252.07600	162.0
[M+NH4]+	247.12060	157.5
[M+K]+	268.04994	156.7
[M-H]-	228.07950	150.7
[M+Na-2H]-	250.06145	156.5
[M]+	229.08623	152.3
[M]-	229.08733	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe