CID 15936130

32422-02-9

Structural Information

Molecular Formula

C₄H₁₁NO₆P₂

SMILES

C1COP(=O)(CN1CP(=O)(O)O)O

InChI

InChI=1S/C4H11NO6P2/c6-12(7,8)3-5-1-2-11-13(9,10)4-5/h1-4H2,(H,9,10)(H2,6,7,8)

InChIKey

BFEMYVYZNSBRML-UHFFFAOYSA-N

Compound name

(2-hydroxy-2-oxo-1,4,2lambda5-oxazaphosphinan-4-yl)methylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 231.00616 Da
Monoisotopic Mass: -5.2
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]+	232.01344	147.0
[M+Na]+	253.99538	153.3
[M+NH4]+	249.03998	151.8
[M+K]+	269.96932	151.4
[M-H]-	229.99888	143.8
[M+Na-2H]-	251.98083	148.0
[M]+	231.00561	146.4
[M]-	231.00671	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe