CID 526661

4-methyl-3-thiazoline

Structural Information

Molecular Formula

SMILES

CC1=NCSC1

InChI

InChI=1S/C4H7NS/c1-4-2-6-3-5-4/h2-3H2,1H3

InChIKey

DTYOLYPNFSSEGO-UHFFFAOYSA-N

Compound name

4-methyl-2,5-dihydro-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 77
Patents: 101.02992 Da
Monoisotopic Mass: 0.5
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]+	102.03720	117.8
[M+Na]+	124.01914	129.1
[M+NH4]+	119.06374	128.0
[M+K]+	139.99308	122.7
[M-H]-	100.02264	119.7
[M+Na-2H]-	122.00459	123.4
[M]+	101.02937	120.3
[M]-	101.03047	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe