CID 14520

Citiolone

Structural Information

Molecular Formula

SMILES

CC(=O)NC1CCSC1=O

InChI

InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)

InChIKey

NRFJZTXWLKPZAV-UHFFFAOYSA-N

Compound name

N-(2-oxothiolan-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 74
References: 2028
Patents: 159.0354 Da
Monoisotopic Mass: -0.3
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]+	160.04268	134.0
[M+Na]+	182.02462	141.8
[M+NH4]+	177.06922	142.1
[M+K]+	197.99856	137.2
[M-H]-	158.02812	134.8
[M+Na-2H]-	180.01007	136.7
[M]+	159.03485	135.3
[M]-	159.03595	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe