CID 53397103

Dimethyl (1-diazo-2-oxopropyl)phosphonate

Structural Information

Molecular Formula

C₅H₉N₂O₄P

SMILES

CC(=O)C(=[N+]=[N-])P(=O)(OC)OC

InChI

InChI=1S/C5H9N2O4P/c1-4(8)5(7-6)12(9,10-2)11-3/h1-3H3

InChIKey

SQHSJJGGWYIFCD-UHFFFAOYSA-N

Compound name

1-diazo-1-dimethoxyphosphorylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4925
Patents: 192.03 Da
Monoisotopic Mass: -0.5
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]+	193.03728	136.6
[M+Na]+	215.01922	145.1
[M+NH4]+	210.06382	142.0
[M+K]+	230.99316	168.9
[M-H]-	191.02272	135.4
[M+Na-2H]-	213.00467	138.5
[M]+	192.02945	136.8
[M]-	192.03055	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe