CID 18353

Methyl (diethoxyphosphinyl)acetate

Structural Information

Molecular Formula

C₆H₁₃O₅P

SMILES

CCOP(=O)(OCC)OC(=O)C

InChI

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

InChIKey

YZXXMUJJCMUTCG-UHFFFAOYSA-N

Compound name

diethoxyphosphoryl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 219
Patents: 196.05006 Da
Monoisotopic Mass: 0.3
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	141.0
[M+Na]+	219.03928	148.5
[M-H]-	195.04278	140.4
[M+NH4]+	214.08388	161.1
[M+K]+	235.01322	150.1
[M+H-H2O]+	179.04732	134.3
[M+HCOO]-	241.04826	169.0
[M+CH3COO]-	255.06391	182.8
[M+Na-2H]-	217.02473	144.5
[M]+	196.04951	148.7
[M]-	196.05061	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe