CID 120334

695-62-5

Structural Information

Molecular Formula

C₆H₁₁O₂P

SMILES

CCOP1(=O)CC=CC1

InChI

InChI=1S/C6H11O2P/c1-2-8-9(7)5-3-4-6-9/h3-4H,2,5-6H2,1H3

InChIKey

PKYIOUVVSIOSAR-UHFFFAOYSA-N

Compound name

1-ethoxy-2,5-dihydro-1lambda5-phosphole 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 146.04967 Da
Monoisotopic Mass: 0.0
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]+	147.056946	128.6
[M+Na]+	169.038888	136.7
[M-H]-	145.042394	131.2
[M+NH4]+	164.083493	154.2
[M+K]+	185.012828	136.4
[M+H-H2O]+	129.046930	122.1
[M+HCOO]-	191.047871	159.1
[M+CH3COO]-	205.063521	172.5
[M+Na-2H]-	167.024336	132.6
[M]+	146.04912142	130.6
[M]-	146.05021858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe