CID 21677649

54662-09-8

Structural Information

Molecular Formula

C₆H₁₁O₂P

SMILES

CP1(=O)CCC(=O)CC1

InChI

InChI=1S/C6H11O2P/c1-9(8)4-2-6(7)3-5-9/h2-5H2,1H3

InChIKey

ADKHHNSJNDRLHQ-UHFFFAOYSA-N

Compound name

1-methyl-1-oxo-1lambda5-phosphinan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 146.04967 Da
Monoisotopic Mass: -1.2
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]+	147.05695	127.5
[M+Na]+	169.03889	135.0
[M-H]-	145.04239	130.0
[M+NH4]+	164.08349	151.5
[M+K]+	185.01283	134.5
[M+H-H2O]+	129.04693	121.2
[M+HCOO]-	191.04787	154.7
[M+CH3COO]-	205.06352	173.2
[M+Na-2H]-	167.02434	131.1
[M]+	146.04912	125.8
[M]-	146.05022	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe