CID 187444

65143-04-6

Structural Information

Molecular Formula

C₉H₁₉O₂PS

SMILES

CCCSP(=O)(C)OC1CCCC1

InChI

InChI=1S/C9H19O2PS/c1-3-8-13-12(2,10)11-9-6-4-5-7-9/h9H,3-8H2,1-2H3

InChIKey

HQGSMDCBXJCTJI-UHFFFAOYSA-N

Compound name

[methyl(propylsulfanyl)phosphoryl]oxycyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.08434 Da
Monoisotopic Mass: 2.0
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]+	223.091616	151.1
[M+Na]+	245.073558	156.6
[M-H]-	221.077064	153.0
[M+NH4]+	240.118163	172.3
[M+K]+	261.047498	155.4
[M+H-H2O]+	205.081600	143.6
[M+HCOO]-	267.082541	172.9
[M+CH3COO]-	281.098191	186.5
[M+Na-2H]-	243.059006	149.2
[M]+	222.08379142	154.2
[M]-	222.08488858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.