CID 26285

13808-36-1

Structural Information

Molecular Formula

C₆H₇ClN₂OS

SMILES

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

InChI

InChI=1S/C6H7ClN2OS/c1-2-5(10)9-6-8-3-4(7)11-6/h3H,2H2,1H3,(H,8,9,10)

InChIKey

XMEIPRIOGBNKAJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 189.99677 Da
Monoisotopic Mass: 2.6
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]+	191.00405	137.1
[M+Na]+	212.98599	146.7
[M-H]-	188.98949	140.1
[M+NH4]+	208.03059	158.5
[M+K]+	228.95993	143.3
[M+H-H2O]+	172.99403	131.9
[M+HCOO]-	234.99497	152.5
[M+CH3COO]-	249.01062	179.9
[M+Na-2H]-	210.97144	139.0
[M]+	189.99622	140.7
[M]-	189.99732	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe