CID 6428990

2-propionyl-2-thiazoline

Structural Information

Molecular Formula

SMILES

CCC(=O)C1=NCCS1

InChI

InChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3

InChIKey

MFQABLFJUQNPAC-UHFFFAOYSA-N

Compound name

1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 55
Patents: 143.04048 Da
Monoisotopic Mass: 0.7
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]+	144.04776	129.9
[M+Na]+	166.02970	139.9
[M+NH4]+	161.07430	138.7
[M+K]+	182.00364	134.3
[M-H]-	142.03320	130.7
[M+Na-2H]-	164.01515	134.0
[M]+	143.03993	131.8
[M]-	143.04103	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe