CID 67555

Ethyl dimethylphosphonoacetate

Structural Information

Molecular Formula

C₆H₁₃O₅P

SMILES

CCOC(=O)CP(=O)(OC)OC

InChI

InChI=1S/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3

InChIKey

HUNISAHOCCASGM-UHFFFAOYSA-N

Compound name

ethyl 2-dimethoxyphosphorylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1114
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	140.8
[M+Na]+	219.03928	148.7
[M+NH4]+	214.08388	145.9
[M+K]+	235.01322	146.3
[M-H]-	195.04278	137.0
[M+Na-2H]-	217.02473	142.0
[M]+	196.04951	140.4
[M]-	196.05061	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe