CID 15847444

4,5-dimethyl-2-octylthiazole

Structural Information

Molecular Formula

C₁₃H₂₃NS

SMILES

CCCCCCCCC1=NC(=C(S1)C)C

InChI

InChI=1S/C13H23NS/c1-4-5-6-7-8-9-10-13-14-11(2)12(3)15-13/h4-10H2,1-3H3

InChIKey

HGRFDZGIRVFJRV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.15512 Da
Monoisotopic Mass: 5.7
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]+	226.16240	155.6
[M+Na]+	248.14434	166.7
[M+NH4]+	243.18894	164.4
[M+K]+	264.11828	158.4
[M-H]-	224.14784	157.4
[M+Na-2H]-	246.12979	159.4
[M]+	225.15457	158.2
[M]-	225.15567	158.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.