CID 13231422

Ethyl methyl(2-oxoethyl)phosphinate

Structural Information

Molecular Formula

C₅H₁₁O₃P

SMILES

CCOP(=O)(C)CC=O

InChI

InChI=1S/C5H11O3P/c1-3-8-9(2,7)5-4-6/h4H,3,5H2,1-2H3

InChIKey

OUQPKAWTWOTEPK-UHFFFAOYSA-N

Compound name

2-[ethoxy(methyl)phosphoryl]acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 150.04459 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]+	151.05187	131.4
[M+Na]+	173.03381	139.7
[M-H]-	149.03731	131.0
[M+NH4]+	168.07841	153.5
[M+K]+	189.00775	140.1
[M+H-H2O]+	133.04185	125.3
[M+HCOO]-	195.04279	160.3
[M+CH3COO]-	209.05844	175.5
[M+Na-2H]-	171.01926	136.3
[M]+	150.04404	136.7
[M]-	150.04514	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe