CID 123311844

At48361

Structural Information

Molecular Formula

C₆H₁₄NO₂P

SMILES

CCOP1(=O)CCNCC1

InChI

InChI=1S/C6H14NO2P/c1-2-9-10(8)5-3-7-4-6-10/h7H,2-6H2,1H3

InChIKey

RFLKGTKQGFUDLE-UHFFFAOYSA-N

Compound name

4-ethoxy-1,4lambda5-azaphosphinane 4-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 163.07622 Da
Monoisotopic Mass: -0.9
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]+	164.08350	135.9
[M+Na]+	186.06544	141.5
[M-H]-	162.06894	134.9
[M+NH4]+	181.11004	156.8
[M+K]+	202.03938	140.7
[M+H-H2O]+	146.07348	128.2
[M+HCOO]-	208.07442	160.0
[M+CH3COO]-	222.09007	173.1
[M+Na-2H]-	184.05089	139.3
[M]+	163.07567	133.0
[M]-	163.07677	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe