CID 567762

26774-38-9

Structural Information

Molecular Formula

C₆H₇ClN₂OS

SMILES

C1=CSC(=N1)NC(=O)CCCl

InChI

InChI=1S/C6H7ClN2OS/c7-2-1-5(10)9-6-8-3-4-11-6/h3-4H,1-2H2,(H,8,9,10)

InChIKey

MHWVBJWYICRJIZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 189.99677 Da
Monoisotopic Mass: 1.3
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]+	191.00405	137.3
[M+Na]+	212.98599	146.1
[M-H]-	188.98949	140.0
[M+NH4]+	208.03059	158.4
[M+K]+	228.95993	142.6
[M+H-H2O]+	172.99403	131.7
[M+HCOO]-	234.99497	152.7
[M+CH3COO]-	249.01062	178.8
[M+Na-2H]-	210.97144	139.8
[M]+	189.99622	140.5
[M]-	189.99732	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe