CID 511879

Ethoxy(ethoxycarbonyl)phosphinic acid

Structural Information

Molecular Formula

C₅H₁₁O₅P

SMILES

CCOC(=O)P(=O)(O)OCC

InChI

InChI=1S/C5H11O5P/c1-3-9-5(6)11(7,8)10-4-2/h3-4H2,1-2H3,(H,7,8)

InChIKey

GBHHYGCUMKFRMT-UHFFFAOYSA-N

Compound name

ethoxy(ethoxycarbonyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 182.03441 Da
Monoisotopic Mass: -0.1
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]+	183.04169	137.5
[M+Na]+	205.02363	144.9
[M-H]-	181.02713	135.6
[M+NH4]+	200.06823	157.4
[M+K]+	220.99757	145.9
[M+H-H2O]+	165.03167	131.1
[M+HCOO]-	227.03261	164.3
[M+CH3COO]-	241.04826	177.1
[M+Na-2H]-	203.00908	140.9
[M]+	182.03386	142.9
[M]-	182.03496	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe