CID 55271529

4-ethyl-2-hexylthiazole

Structural Information

Molecular Formula

C₁₁H₁₉NS

SMILES

CCCCCCC1=NC(=CS1)CC

InChI

InChI=1S/C11H19NS/c1-3-5-6-7-8-11-12-10(4-2)9-13-11/h9H,3-8H2,1-2H3

InChIKey

GEAVQUKRDITJTP-UHFFFAOYSA-N

Compound name

4-ethyl-2-hexyl-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	145.2
[M+Na]+	220.11305	153.3
[M-H]-	196.11655	147.6
[M+NH4]+	215.15765	166.3
[M+K]+	236.08699	150.4
[M+H-H2O]+	180.12109	139.0
[M+HCOO]-	242.12203	163.4
[M+CH3COO]-	256.13768	185.2
[M+Na-2H]-	218.09850	145.7
[M]+	197.12328	149.8
[M]-	197.12438	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe