CID 206329

49593-93-3

Structural Information

Molecular Formula

C₁₂H₂₃O₂P

SMILES

CCCCCCCCOP1(=O)CCC=C1

InChI

InChI=1S/C12H23O2P/c1-2-3-4-5-6-7-10-14-15(13)11-8-9-12-15/h8,11H,2-7,9-10,12H2,1H3

InChIKey

OJBINSQWZFSVKN-UHFFFAOYSA-N

Compound name

1-octoxy-2,3-dihydro-1lambda5-phosphole 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.14357 Da
Monoisotopic Mass: 3.3
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]+	231.15085	157.1
[M+Na]+	253.13279	162.6
[M-H]-	229.13629	158.6
[M+NH4]+	248.17739	179.3
[M+K]+	269.10673	160.8
[M+H-H2O]+	213.14083	149.4
[M+HCOO]-	275.14177	185.6
[M+CH3COO]-	289.15742	190.7
[M+Na-2H]-	251.11824	157.8
[M]+	230.14302	161.3
[M]-	230.14412	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe