CID 20482452

858009-39-9

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	129.6
[M+Na]+	184.99107	139.8
[M-H]-	160.99457	132.1
[M+NH4]+	180.03567	152.0
[M+K]+	200.96501	135.8
[M+H-H2O]+	144.99911	124.5
[M+HCOO]-	207.00005	145.2
[M+CH3COO]-	221.01570	175.0
[M+Na-2H]-	182.97652	132.0
[M]+	162.00130	131.7
[M]-	162.00240	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe