CID 40380

5-ethyl-4-methylthiazole

Structural Information

Molecular Formula

SMILES

CCC1=C(N=CS1)C

InChI

InChI=1S/C6H9NS/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3

InChIKey

XPQULTFBJPGINB-UHFFFAOYSA-N

Compound name

5-ethyl-4-methyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 452
Patents: 127.04557 Da
Monoisotopic Mass: 2.1
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]+	128.05285	122.7
[M+Na]+	150.03479	133.0
[M-H]-	126.03829	126.0
[M+NH4]+	145.07939	146.6
[M+K]+	166.00873	131.4
[M+H-H2O]+	110.04283	117.5
[M+HCOO]-	172.04377	142.6
[M+CH3COO]-	186.05942	170.2
[M+Na-2H]-	148.02024	125.8
[M]+	127.04502	125.6
[M]-	127.04612	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe