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: 5375
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	136.5
[M+Na]+	215.01922	143.5
[M-H]-	191.02272	137.7
[M+NH4]+	210.06382	156.4
[M+K]+	230.99316	140.2
[M+H-H2O]+	175.02726	134.4
[M+HCOO]-	237.02820	168.1
[M+CH3COO]-	251.04385	180.6
[M+Na-2H]-	213.00467	143.2
[M]+	192.02945	138.4
[M]-	192.03055	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe