CID 198660

90220-15-8

Structural Information

Molecular Formula

C₈H₁₉O₂PS

SMILES

CCCOP(=O)(CC)SCCC

InChI

InChI=1S/C8H19O2PS/c1-4-7-10-11(9,6-3)12-8-5-2/h4-8H2,1-3H3

InChIKey

PMQIYZHLHSBCEO-UHFFFAOYSA-N

Compound name

1-[ethyl(propylsulfanyl)phosphoryl]oxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.08434 Da
Monoisotopic Mass: 2.4
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]+	211.09162	148.2
[M+Na]+	233.07356	156.7
[M+NH4]+	228.11816	155.4
[M+K]+	249.04750	149.6
[M-H]-	209.07706	146.7
[M+Na-2H]-	231.05901	149.8
[M]+	210.08379	149.3
[M]-	210.08489	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.