CID 165468834

2770368-66-4

Structural Information

Molecular Formula

C₆H₇BrN₂OS

SMILES

C1C(CO1)(C2=NC=C(S2)Br)N

InChI

InChI=1S/C6H7BrN2OS/c7-4-1-9-5(11-4)6(8)2-10-3-6/h1H,2-3,8H2

InChIKey

KIWFWRYGGKGQJU-UHFFFAOYSA-N

Compound name

3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.94624 Da
Monoisotopic Mass: 0.4
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]+	234.95352	130.6
[M+Na]+	256.93546	128.4
[M+NH4]+	251.98006	133.7
[M+K]+	272.90940	130.2
[M-H]-	232.93896	130.5
[M+Na-2H]-	254.92091	132.7
[M]+	233.94569	128.5
[M]-	233.94679	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.