CID 198663

90220-18-1

Structural Information

Molecular Formula

C₇H₁₇O₂PS

SMILES

CCCCOP(=O)(CC)SC

InChI

InChI=1S/C7H17O2PS/c1-4-6-7-9-10(8,5-2)11-3/h4-7H2,1-3H3

InChIKey

FZJVVHXAMDUDCB-UHFFFAOYSA-N

Compound name

1-[ethyl(methylsulfanyl)phosphoryl]oxybutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.0687 Da
Monoisotopic Mass: 1.5
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]+	197.07598	144.0
[M+Na]+	219.05792	152.7
[M+NH4]+	214.10252	151.3
[M+K]+	235.03186	145.8
[M-H]-	195.06142	142.5
[M+Na-2H]-	217.04337	145.8
[M]+	196.06815	145.1
[M]-	196.06925	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.