CID 36704

3095-95-2

Structural Information

Molecular Formula

C₆H₁₃O₅P

SMILES

CCOP(=O)(CC(=O)O)OCC

InChI

InChI=1S/C6H13O5P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H,7,8)

InChIKey

DVQMPWOLBFKUMM-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2320
Patents: 196.05006 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]+	197.05734	141.4
[M+Na]+	219.03928	148.6
[M+NH4]+	214.08388	146.0
[M+K]+	235.01322	146.6
[M-H]-	195.04278	137.0
[M+Na-2H]-	217.02473	141.9
[M]+	196.04951	140.6
[M]-	196.05061	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe