CID 84102

13915-79-2

Structural Information

Molecular Formula

C₇H₉ClN₂OS

SMILES

CCC(=O)NC1=NC(=C(S1)Cl)C

InChI

InChI=1S/C7H9ClN2OS/c1-3-5(11)10-7-9-4(2)6(8)12-7/h3H2,1-2H3,(H,9,10,11)

InChIKey

QHLFJSMAWAWVRU-UHFFFAOYSA-N

Compound name

N-(5-chloro-4-methyl-1,3-thiazol-2-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 518
Patents: 204.0124 Da
Monoisotopic Mass: 2.3
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]+	205.01968	142.6
[M+Na]+	227.00162	153.5
[M+NH4]+	222.04622	151.0
[M+K]+	242.97556	147.4
[M-H]-	203.00512	143.8
[M+Na-2H]-	224.98707	146.8
[M]+	204.01185	145.1
[M]-	204.01295	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe