CID 12743038

2104-03-2

Structural Information

Molecular Formula

C₁₀H₉NO₂S

SMILES

COC1=CC=C(C=C1)C2=CSC(=O)N2

InChI

InChI=1S/C10H9NO2S/c1-13-8-4-2-7(3-5-8)9-6-14-10(12)11-9/h2-6H,1H3,(H,11,12)

InChIKey

VRGOXHGWPUMECB-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)-3H-1,3-thiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 207.0354 Da
Monoisotopic Mass: 1.9
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]+	208.04268	142.6
[M+Na]+	230.02462	155.9
[M+NH4]+	225.06922	151.4
[M+K]+	245.99856	149.1
[M-H]-	206.02812	145.6
[M+Na-2H]-	228.01007	149.9
[M]+	207.03485	145.8
[M]-	207.03595	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe