CID 110058

68334-62-3

Structural Information

Molecular Formula

C₆H₁₃O₅P

SMILES

CP(=O)(CCC(=O)OCCO)O

InChI

InChI=1S/C6H13O5P/c1-12(9,10)5-2-6(8)11-4-3-7/h7H,2-5H2,1H3,(H,9,10)

InChIKey

NBPZIGIKBFFYOZ-UHFFFAOYSA-N

Compound name

[3-(2-hydroxyethoxy)-3-oxopropyl]-methylphosphinic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 196.05006 Da
Monoisotopic Mass: -2.0
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	142.2
[M+Na]+	219.03928	149.0
[M+NH4]+	214.08388	146.5
[M+K]+	235.01322	147.1
[M-H]-	195.04278	137.3
[M+Na-2H]-	217.02473	142.1
[M]+	196.04951	141.2
[M]-	196.05061	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe