CID 36098

2,5-dimethyl-4-ethylthiazole

Structural Information

Molecular Formula

SMILES

CCC1=C(SC(=N1)C)C

InChI

InChI=1S/C7H11NS/c1-4-7-5(2)9-6(3)8-7/h4H2,1-3H3

InChIKey

ZJGXJKFDKNNBTK-UHFFFAOYSA-N

Compound name

4-ethyl-2,5-dimethyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 56
Patents: 141.06122 Da
Monoisotopic Mass: 2.6
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]+	142.06850	129.4
[M+Na]+	164.05044	141.7
[M+NH4]+	159.09504	139.1
[M+K]+	180.02438	134.8
[M-H]-	140.05394	131.4
[M+Na-2H]-	162.03589	134.7
[M]+	141.06067	132.2
[M]-	141.06177	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe