CID 81229542

4-(bromomethyl)-2-ethyl-1,3-thiazole hydrobromide

Structural Information

Molecular Formula

SMILES

CCC1=NC(=CS1)CBr

InChI

InChI=1S/C6H8BrNS/c1-2-6-8-5(3-7)4-9-6/h4H,2-3H2,1H3

InChIKey

JWUSMAHZPJIXPM-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-2-ethyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 204.95609 Da
Monoisotopic Mass: 2.4
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]+	205.96337	127.7
[M+Na]+	227.94531	141.9
[M-H]-	203.94881	133.9
[M+NH4]+	222.98991	152.2
[M+K]+	243.91925	131.0
[M+H-H2O]+	187.95335	128.6
[M+HCOO]-	249.95429	145.7
[M+CH3COO]-	263.96994	180.9
[M+Na-2H]-	225.93076	132.9
[M]+	204.95554	149.1
[M]-	204.95664	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe