CID 65288

2-propionylthiazole

Structural Information

Molecular Formula

SMILES

CCC(=O)C1=NC=CS1

InChI

InChI=1S/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3

InChIKey

TYRAENAWSLPSLW-UHFFFAOYSA-N

Compound name

1-(1,3-thiazol-2-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 313
Patents: 141.02484 Da
Monoisotopic Mass: 1.4
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]+	142.032116	126.8
[M+Na]+	164.014058	136.0
[M-H]-	140.017564	129.8
[M+NH4]+	159.058663	149.5
[M+K]+	179.987998	134.6
[M+H-H2O]+	124.022100	121.2
[M+HCOO]-	186.023041	146.0
[M+CH3COO]-	200.038691	170.9
[M+Na-2H]-	161.999506	129.3
[M]+	141.02429142	129.3
[M]-	141.02538858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe