CID 199243

3858-19-3

Structural Information

Molecular Formula

C₉H₁₇O₂P

SMILES

CCCCOP1(=O)CC=C(C1)C

InChI

InChI=1S/C9H17O2P/c1-3-4-6-11-12(10)7-5-9(2)8-12/h5H,3-4,6-8H2,1-2H3

InChIKey

DALGQXVMOLPXBN-UHFFFAOYSA-N

Compound name

1-butoxy-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.09662 Da
Monoisotopic Mass: 0.8
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	142.3
[M+Na]+	211.08584	152.1
[M+NH4]+	206.13044	151.6
[M+K]+	227.05978	146.0
[M-H]-	187.08934	142.9
[M+Na-2H]-	209.07129	147.6
[M]+	188.09607	143.8
[M]-	188.09717	143.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.