CID 120374

Diallylphosphinic acid ethyl ester

Structural Information

Molecular Formula

C₈H₁₅O₂P

SMILES

CCOP(=O)(CC=C)CC=C

InChI

InChI=1S/C8H15O2P/c1-4-7-11(9,8-5-2)10-6-3/h4-5H,1-2,6-8H2,3H3

InChIKey

BSKOELWERIMNMG-UHFFFAOYSA-N

Compound name

3-[ethoxy(prop-2-enyl)phosphoryl]prop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 174.08096 Da
Monoisotopic Mass: 1.1
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]+	175.088236	141.3
[M+Na]+	197.070178	148.7
[M-H]-	173.073684	140.4
[M+NH4]+	192.114783	162.5
[M+K]+	213.044118	147.2
[M+H-H2O]+	157.078220	134.9
[M+HCOO]-	219.079161	169.2
[M+CH3COO]-	233.094811	181.7
[M+Na-2H]-	195.055626	144.5
[M]+	174.08041142	145.6
[M]-	174.08150858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe