CID 55271530

2-pentyl-4-propylthiazole

Structural Information

Molecular Formula

C₁₁H₁₉NS

SMILES

CCCCCC1=NC(=CS1)CCC

InChI

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

InChIKey

HZWDDRTWBCHNGJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.12383 Da
Monoisotopic Mass: 4.4
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]+	198.131106	145.2
[M+Na]+	220.113048	153.3
[M-H]-	196.116554	147.6
[M+NH4]+	215.157653	166.3
[M+K]+	236.086988	150.4
[M+H-H2O]+	180.121090	139.0
[M+HCOO]-	242.122031	163.4
[M+CH3COO]-	256.137681	185.2
[M+Na-2H]-	218.098496	145.7
[M]+	197.12328142	149.8
[M]-	197.12437858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe