CID 20482368

87807-88-3

Structural Information

Molecular Formula

C₆H₇BrN₂OS

SMILES

CN(C)C(=O)C1=CN=C(S1)Br

InChI

InChI=1S/C6H7BrN2OS/c1-9(2)5(10)4-3-8-6(7)11-4/h3H,1-2H3

InChIKey

GGHZRPQQOGOHIC-UHFFFAOYSA-N

Compound name

2-bromo-N,N-dimethyl-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 233.94624 Da
Monoisotopic Mass: 1.8
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]+	234.95352	134.4
[M+Na]+	256.93546	147.3
[M-H]-	232.93896	141.7
[M+NH4]+	251.98006	157.6
[M+K]+	272.90940	137.5
[M+H-H2O]+	216.94350	134.0
[M+HCOO]-	278.94444	152.9
[M+CH3COO]-	292.96009	189.6
[M+Na-2H]-	254.92091	138.3
[M]+	233.94569	156.1
[M]-	233.94679	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe