CID 13664015

101714-60-7

Structural Information

Molecular Formula

SMILES

CC(C(=O)C1CCCCC1)Br

InChI

InChI=1S/C9H15BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3

InChIKey

BKMKMXLHLLWKTQ-UHFFFAOYSA-N

Compound name

2-bromo-1-cyclohexylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.03062 Da
Monoisotopic Mass: 3.2
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]+	219.03790	140.2
[M+Na]+	241.01984	141.1
[M+NH4]+	236.06444	145.3
[M+K]+	256.99378	141.7
[M-H]-	217.02334	140.4
[M+Na-2H]-	239.00529	141.9
[M]+	218.03007	139.0
[M]-	218.03117	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe