CID 203631

14819-39-7

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CCCC1=NC(=CS1)C(=O)OCC

InChI

InChI=1S/C9H13NO2S/c1-3-5-8-10-7(6-13-8)9(11)12-4-2/h6H,3-5H2,1-2H3

InChIKey

RWFWAKJZENNTEJ-UHFFFAOYSA-N

Compound name

ethyl 2-propyl-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 199.0667 Da
Monoisotopic Mass: 2.7
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]+	200.07398	144.8
[M+Na]+	222.05592	155.1
[M+NH4]+	217.10052	152.7
[M+K]+	238.02986	149.3
[M-H]-	198.05942	145.2
[M+Na-2H]-	220.04137	148.5
[M]+	199.06615	146.7
[M]-	199.06725	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe