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	137.6
[M+Na]+	207.02152	145.2
[M-H]-	183.02502	137.2
[M+NH4]+	202.06612	158.8
[M+K]+	222.99546	145.2
[M+H-H2O]+	167.02956	130.6
[M+HCOO]-	229.03050	161.3
[M+CH3COO]-	243.04615	180.4
[M+Na-2H]-	205.00697	139.2
[M]+	184.03175	145.2
[M]-	184.03285	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.