CID 10997850

Diethyl 3-butenylphosphonate

Structural Information

Molecular Formula

C₈H₁₇O₃P

SMILES

CCOP(=O)(CCC=C)OCC

InChI

InChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4H,1,5-8H2,2-3H3

InChIKey

NUDGAPYPOAQVLP-UHFFFAOYSA-N

Compound name

4-diethoxyphosphorylbut-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 192.09154 Da
Monoisotopic Mass: 1.3
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]+	193.09882	146.0
[M+Na]+	215.08076	153.0
[M-H]-	191.08426	144.9
[M+NH4]+	210.12536	166.4
[M+K]+	231.05470	152.5
[M+H-H2O]+	175.08880	139.2
[M+HCOO]-	237.08974	173.8
[M+CH3COO]-	251.10539	184.7
[M+Na-2H]-	213.06621	149.2
[M]+	192.09099	152.3
[M]-	192.09209	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe