CID 11062940

128312-69-6

Structural Information

Molecular Formula

SMILES

C1CC(C1)C(=O)CBr

InChI

InChI=1S/C6H9BrO/c7-4-6(8)5-2-1-3-5/h5H,1-4H2

InChIKey

ODPHLRQTQFMNJQ-UHFFFAOYSA-N

Compound name

2-bromo-1-cyclobutylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 179
Patents: 175.98367 Da
Monoisotopic Mass: 1.7
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]+	176.99095	122.2
[M+Na]+	198.97289	131.4
[M-H]-	174.97639	128.3
[M+NH4]+	194.01749	139.7
[M+K]+	214.94683	125.0
[M+H-H2O]+	158.98093	118.6
[M+HCOO]-	220.98187	141.7
[M+CH3COO]-	234.99752	181.4
[M+Na-2H]-	196.95834	129.6
[M]+	175.98312	146.9
[M]-	175.98422	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe