CID 480042

2-ethylsulfanyl-4,5-dihydro-oxazole

Structural Information

Molecular Formula

SMILES

CCSC1=NCCO1

InChI

InChI=1S/C5H9NOS/c1-2-8-5-6-3-4-7-5/h2-4H2,1H3

InChIKey

MSOOXKBBMBRJCW-UHFFFAOYSA-N

Compound name

2-ethylsulfanyl-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 131.04048 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]+	132.04776	123.8
[M+Na]+	154.02970	132.6
[M-H]-	130.03320	127.1
[M+NH4]+	149.07430	145.8
[M+K]+	170.00364	132.9
[M+H-H2O]+	114.03774	118.5
[M+HCOO]-	176.03868	142.0
[M+CH3COO]-	190.05433	167.6
[M+Na-2H]-	152.01515	127.9
[M]+	131.03993	126.2
[M]-	131.04103	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.