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: 83
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	143.9
[M+Na]+	215.08076	152.7
[M+NH4]+	210.12536	150.0
[M+K]+	231.05470	147.9
[M-H]-	191.08426	141.4
[M+Na-2H]-	213.06621	145.9
[M]+	192.09099	144.1
[M]-	192.09209	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe