CID 85340516

Diethyl (1-diazo-2-oxopropyl)phosphonate

Structural Information

Molecular Formula

C₇H₁₃N₂O₄P

SMILES

CCOP(=O)(C(=[N+]=[N-])C(=O)C)OCC

InChI

InChI=1S/C7H13N2O4P/c1-4-12-14(11,13-5-2)7(9-8)6(3)10/h4-5H2,1-3H3

InChIKey

POWMKQRQDNARSN-UHFFFAOYSA-N

Compound name

1-diazo-1-diethoxyphosphorylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 140
Patents: 220.0613 Da
Monoisotopic Mass: 0.2
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]+	221.06858	146.5
[M+Na]+	243.05052	152.7
[M-H]-	219.05402	147.4
[M+NH4]+	238.09512	175.0
[M+K]+	259.02446	148.9
[M+H-H2O]+	203.05856	144.0
[M+HCOO]-	265.05950	188.7
[M+CH3COO]-	279.07515	186.8
[M+Na-2H]-	241.03597	152.2
[M]+	220.06075	149.2
[M]-	220.06185	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe