CID 76257

Diethyl cyanophosphonate

Structural Information

Molecular Formula

C₅H₁₀NO₃P

SMILES

CCOP(=O)(C#N)OCC

InChI

InChI=1S/C5H10NO3P/c1-3-8-10(7,5-6)9-4-2/h3-4H2,1-2H3

InChIKey

ZWWWLCMDTZFSOO-UHFFFAOYSA-N

Compound name

diethoxyphosphorylformonitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 17
References: 14329
Patents: 163.03983 Da
Monoisotopic Mass: 0.3
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]+	164.047106	126.7
[M+Na]+	186.029048	136.3
[M-H]-	162.032554	127.0
[M+NH4]+	181.073653	146.3
[M+K]+	202.002988	137.2
[M+H-H2O]+	146.037090	114.2
[M+HCOO]-	208.038031	151.7
[M+CH3COO]-	222.053681	190.4
[M+Na-2H]-	184.014496	132.2
[M]+	163.03928142	127.3
[M]-	163.04037858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe