CID 3049717

Dtxsid50983738

Structural Information

Molecular Formula

C₇H₁₅O₂PS

SMILES

CP(=O)(OC1CCCC1)SC

InChI

InChI=1S/C7H15O2PS/c1-10(8,11-2)9-7-5-3-4-6-7/h7H,3-6H2,1-2H3

InChIKey

UHWFSEMGAIUKIM-UHFFFAOYSA-N

Compound name

[methyl(methylsulfanyl)phosphoryl]oxycyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.05304 Da
Monoisotopic Mass: 1.1
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]+	195.060316	141.9
[M+Na]+	217.042258	148.2
[M-H]-	193.045764	144.1
[M+NH4]+	212.086863	164.2
[M+K]+	233.016198	147.5
[M+H-H2O]+	177.050300	134.7
[M+HCOO]-	239.051241	164.3
[M+CH3COO]-	253.066891	180.5
[M+Na-2H]-	215.027706	140.9
[M]+	194.05249142	144.2
[M]-	194.05358858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.