CID 3017762

2-acetylthiazolidine

Structural Information

Molecular Formula

SMILES

CC(=O)C1NCCS1

InChI

InChI=1S/C5H9NOS/c1-4(7)5-6-2-3-8-5/h5-6H,2-3H2,1H3

InChIKey

UCCSPJPIAZEQQQ-UHFFFAOYSA-N

Compound name

1-(1,3-thiazolidin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 131.04048 Da
Monoisotopic Mass: 0.1
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	126.8
[M+Na]+	154.02970	133.8
[M-H]-	130.03320	127.6
[M+NH4]+	149.07430	148.9
[M+K]+	170.00364	132.2
[M+H-H2O]+	114.03774	121.5
[M+HCOO]-	176.03868	141.8
[M+CH3COO]-	190.05433	165.9
[M+Na-2H]-	152.01515	127.4
[M]+	131.03993	124.2
[M]-	131.04103	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe