CID 120311

Diallylphosphinic acid propyl ester

Structural Information

Molecular Formula

C₉H₁₇O₂P

SMILES

CCCOP(=O)(CC=C)CC=C

InChI

InChI=1S/C9H17O2P/c1-4-7-11-12(10,8-5-2)9-6-3/h5-6H,2-4,7-9H2,1H3

InChIKey

WCGBZRRCPAFCHE-UHFFFAOYSA-N

Compound name

1-bis(prop-2-enyl)phosphoryloxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 188.09662 Da
Monoisotopic Mass: 1.6
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]+	189.10390	144.7
[M+Na]+	211.08584	153.8
[M+NH4]+	206.13044	150.9
[M+K]+	227.05978	148.1
[M-H]-	187.08934	142.4
[M+Na-2H]-	209.07129	146.7
[M]+	188.09607	145.0
[M]-	188.09717	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe