CID 55295881

2,5-diethyl-4-propylthiazole

Structural Information

Molecular Formula

C₁₀H₁₇NS

SMILES

CCCC1=C(SC(=N1)CC)CC

InChI

InChI=1S/C10H17NS/c1-4-7-8-9(5-2)12-10(6-3)11-8/h4-7H2,1-3H3

InChIKey

CNHZSCGZZKCROX-UHFFFAOYSA-N

Compound name

2,5-diethyl-4-propyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 183.10817 Da
Monoisotopic Mass: 3.8
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]+	184.11545	142.5
[M+Na]+	206.09739	154.2
[M+NH4]+	201.14199	151.8
[M+K]+	222.07133	146.6
[M-H]-	182.10089	144.5
[M+Na-2H]-	204.08284	147.1
[M]+	183.10762	145.2
[M]-	183.10872	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.