CID 729135

82202-32-2

Structural Information

Molecular Formula

C₇H₁₁BrN₂S

SMILES

CC(C)(C)C1=C(SC(=N1)N)Br

InChI

InChI=1S/C7H11BrN2S/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H2,9,10)

InChIKey

ACKLPWWFGUPXSM-UHFFFAOYSA-N

Compound name

5-bromo-4-tert-butyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 233.98264 Da
Monoisotopic Mass: 3.3
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]+	234.98992	139.2
[M+Na]+	256.97186	140.5
[M+NH4]+	252.01646	144.2
[M+K]+	272.94580	141.6
[M-H]-	232.97536	139.1
[M+Na-2H]-	254.95731	141.0
[M]+	233.98209	138.5
[M]-	233.98319	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe