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]+	147.056946	127.5
[M+Na]+	169.038888	135.0
[M-H]-	145.042394	130.0
[M+NH4]+	164.083493	151.5
[M+K]+	185.012828	134.5
[M+H-H2O]+	129.046930	121.2
[M+HCOO]-	191.047871	154.7
[M+CH3COO]-	205.063521	173.2
[M+Na-2H]-	167.024336	131.1
[M]+	146.04912142	125.8
[M]-	146.05021858	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe