CID 156873

76936-70-4

Structural Information

Molecular Formula

C₅H₁₃O₃PS

SMILES

CCCSP(=O)(OC)OC

InChI

InChI=1S/C5H13O3PS/c1-4-5-10-9(6,7-2)8-3/h4-5H2,1-3H3

InChIKey

CSKHPKBIXZSVJO-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.0323 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]+	185.03958	138.5
[M+Na]+	207.02152	147.1
[M+NH4]+	202.06612	145.6
[M+K]+	222.99546	141.2
[M-H]-	183.02502	136.5
[M+Na-2H]-	205.00697	140.4
[M]+	184.03175	139.4
[M]-	184.03285	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.