CID 12743036

79307-64-5

Structural Information

Molecular Formula

SMILES

CC1=CNC(=O)S1

InChI

InChI=1S/C4H5NOS/c1-3-2-5-4(6)7-3/h2H,1H3,(H,5,6)

InChIKey

ICMJQBNCXFJBPE-UHFFFAOYSA-N

Compound name

5-methyl-3H-1,3-thiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 115.009186 Da
Monoisotopic Mass: 0.6
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]+	116.01646	120.0
[M+Na]+	137.99840	131.5
[M+NH4]+	133.04301	129.0
[M+K]+	153.97234	125.8
[M-H]-	114.00191	120.8
[M+Na-2H]-	135.98385	125.0
[M]+	115.00864	122.1
[M]-	115.00973	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe