CID 55295885

2-butyl-4-propylthiazole

Structural Information

Molecular Formula

C₁₀H₁₇NS

SMILES

CCCCC1=NC(=CS1)CCC

InChI

InChI=1S/C10H17NS/c1-3-5-7-10-11-9(6-4-2)8-12-10/h8H,3-7H2,1-2H3

InChIKey

GWOBPIKTIDWALS-UHFFFAOYSA-N

Compound name

2-butyl-4-propyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10817 Da
Monoisotopic Mass: 3.9
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	140.8
[M+Na]+	206.09739	149.3
[M-H]-	182.10089	143.3
[M+NH4]+	201.14199	162.4
[M+K]+	222.07133	146.6
[M+H-H2O]+	166.10543	134.7
[M+HCOO]-	228.10637	159.3
[M+CH3COO]-	242.12202	182.2
[M+Na-2H]-	204.08284	141.8
[M]+	183.10762	145.0
[M]-	183.10872	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe