CID 86087415

2-hexyl-4,5-dimethylthiazole

Structural Information

Molecular Formula

C₁₁H₁₉NS

SMILES

CCCCCCC1=NC(=C(S1)C)C

InChI

InChI=1S/C11H19NS/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3

InChIKey

KVNSTYMROSOFEA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.12383 Da
Monoisotopic Mass: 4.6
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]+	198.13111	146.9
[M+Na]+	220.11305	158.4
[M+NH4]+	215.15765	156.0
[M+K]+	236.08699	150.5
[M-H]-	196.11655	148.8
[M+Na-2H]-	218.09850	151.2
[M]+	197.12328	149.5
[M]-	197.12438	149.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.