CID 12822308

76714-45-9

Structural Information

Molecular Formula

SMILES

CC1(CC1)C(=O)CBr

InChI

InChI=1S/C6H9BrO/c1-6(2-3-6)5(8)4-7/h2-4H2,1H3

InChIKey

VCUXURBVRXWSQQ-UHFFFAOYSA-N

Compound name

2-bromo-1-(1-methylcyclopropyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 175.98367 Da
Monoisotopic Mass: 1.6
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]+	176.99095	130.6
[M+Na]+	198.97289	143.9
[M-H]-	174.97639	138.2
[M+NH4]+	194.01749	151.5
[M+K]+	214.94683	134.2
[M+H-H2O]+	158.98093	131.8
[M+HCOO]-	220.98187	151.5
[M+CH3COO]-	234.99752	181.5
[M+Na-2H]-	196.95834	139.0
[M]+	175.98312	151.1
[M]-	175.98422	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe