CID 43811042

1017781-60-0

Structural Information

Molecular Formula

C₇H₉BrN₂OS

SMILES

C1COCCN1C2=NC(=CS2)Br

InChI

InChI=1S/C7H9BrN2OS/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4H2

InChIKey

XPFAGXZWVZAYCS-UHFFFAOYSA-N

Compound name

4-(4-bromo-1,3-thiazol-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 247.9619 Da
Monoisotopic Mass: 2.1
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]+	248.96918	137.1
[M+Na]+	270.95112	149.1
[M-H]-	246.95462	144.7
[M+NH4]+	265.99572	156.9
[M+K]+	286.92506	139.8
[M+H-H2O]+	230.95916	137.3
[M+HCOO]-	292.96010	150.8
[M+CH3COO]-	306.97575	152.2
[M+Na-2H]-	268.93657	141.9
[M]+	247.96135	155.1
[M]-	247.96245	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe