CID 3041824

Brn 2109325

Structural Information

Molecular Formula

C₉H₂₀NO₃PS

SMILES

CCN(CC)CCSP1(=O)OCCCO1

InChI

InChI=1S/C9H20NO3PS/c1-3-10(4-2)6-9-15-14(11)12-7-5-8-13-14/h3-9H2,1-2H3

InChIKey

LOPDJGDOYORFPQ-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)sulfanyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 253.09015 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]+	254.09743	155.6
[M+Na]+	276.07937	163.6
[M+NH4]+	271.12397	164.2
[M+K]+	292.05331	155.6
[M-H]-	252.08287	159.4
[M+Na-2H]-	274.06482	159.2
[M]+	253.08960	158.1
[M]-	253.09070	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe