CID 17827946

4-butyl-5-propylthiazole

Structural Information

Molecular Formula

C₁₀H₁₇NS

SMILES

CCCCC1=C(SC=N1)CCC

InChI

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

InChIKey

AHPGPUJQEGRVBS-UHFFFAOYSA-N

Compound name

4-butyl-5-propyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	142.4
[M+Na]+	206.09739	153.8
[M+NH4]+	201.14199	151.7
[M+K]+	222.07133	146.0
[M-H]-	182.10089	144.3
[M+Na-2H]-	204.08284	147.2
[M]+	183.10762	145.0
[M]-	183.10872	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe