CID 17750088

N-bromoacetylazetidine

Structural Information

Molecular Formula

SMILES

C1CN(C1)C(=O)CBr

InChI

InChI=1S/C5H8BrNO/c6-4-5(8)7-2-1-3-7/h1-4H2

InChIKey

BWFNEFMRNYTXQG-UHFFFAOYSA-N

Compound name

1-(azetidin-1-yl)-2-bromoethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 176.97893 Da
Monoisotopic Mass: 0.6
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]+	177.98621	120.9
[M+Na]+	199.96815	130.5
[M-H]-	175.97165	125.7
[M+NH4]+	195.01275	137.2
[M+K]+	215.94209	124.4
[M+H-H2O]+	159.97619	116.6
[M+HCOO]-	221.97713	139.6
[M+CH3COO]-	235.99278	180.4
[M+Na-2H]-	197.95360	128.9
[M]+	176.97838	145.7
[M]-	176.97948	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.