CID 96632

1489-91-4

Structural Information

Molecular Formula

C₈H₁₅O₄P

SMILES

CCOP(=O)(C(=O)C1CC1)OCC

InChI

InChI=1S/C8H15O4P/c1-3-11-13(10,12-4-2)8(9)7-5-6-7/h7H,3-6H2,1-2H3

InChIKey

IOSOXYZYSATVMG-UHFFFAOYSA-N

Compound name

cyclopropyl(diethoxyphosphoryl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.0708 Da
Monoisotopic Mass: 0.4
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]+	207.07808	146.9
[M+Na]+	229.06002	156.5
[M+NH4]+	224.10462	153.4
[M+K]+	245.03396	154.5
[M-H]-	205.06352	152.0
[M+Na-2H]-	227.04547	151.8
[M]+	206.07025	150.4
[M]-	206.07135	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.