CID 20482452

4-(2-chloroethyl)-1,3-thiazol-2-aminehydrochloride

Structural Information

Molecular Formula

C₅H₇ClN₂S

SMILES

C1=C(N=C(S1)N)CCCl

InChI

InChI=1S/C5H7ClN2S/c6-2-1-4-3-9-5(7)8-4/h3H,1-2H2,(H2,7,8)

InChIKey

QFUCGBSZHUUMJS-UHFFFAOYSA-N

Compound name

4-(2-chloroethyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 162.00185 Da
Monoisotopic Mass: 1.5
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]+	163.00913	130.0
[M+Na]+	184.99107	141.4
[M+NH4]+	180.03567	139.5
[M+K]+	200.96501	134.7
[M-H]-	160.99457	132.0
[M+Na-2H]-	182.97652	135.4
[M]+	162.00130	132.8
[M]-	162.00240	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe