CID 86065201

4,5-dimethyl-2-pentylthiazole

Structural Information

Molecular Formula

C₁₀H₁₇NS

SMILES

CCCCCC1=NC(=C(S1)C)C

InChI

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

InChIKey

VKEZOMGNMKPHCY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10817 Da
Monoisotopic Mass: 4.0
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

literature stripe

Patent stripe

No patent data available for this compound.