CID 202217

Brn 1841517

Structural Information

Molecular Formula

C₈H₁₉O₃PS

SMILES

CCOP(=O)(OCC)SC(C)(C)C

InChI

InChI=1S/C8H19O3PS/c1-6-10-12(9,11-7-2)13-8(3,4)5/h6-7H2,1-5H3

InChIKey

FSKOAWGTGPPJCS-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylsulfanyl-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.07925 Da
Monoisotopic Mass: 1.6
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]+	227.08653	152.7
[M+Na]+	249.06847	160.3
[M+NH4]+	244.11307	159.0
[M+K]+	265.04241	154.9
[M-H]-	225.07197	149.9
[M+Na-2H]-	247.05392	153.7
[M]+	226.07870	153.3
[M]-	226.07980	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.