CID 165943025

2156552-69-9

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

COC1CC(C1)C(=O)CBr

InChI

InChI=1S/C7H11BrO2/c1-10-6-2-5(3-6)7(9)4-8/h5-6H,2-4H2,1H3

InChIKey

WLJUAMUUZJSRDO-UHFFFAOYSA-N

Compound name

2-bromo-1-(3-methoxycyclobutyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.99425 Da
Monoisotopic Mass: 1.1
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]+	207.001526	128.7
[M+Na]+	228.983468	138.0
[M-H]-	204.986974	134.8
[M+NH4]+	224.028073	145.2
[M+K]+	244.957408	131.8
[M+H-H2O]+	188.991510	124.7
[M+HCOO]-	250.992451	147.9
[M+CH3COO]-	265.008101	186.9
[M+Na-2H]-	226.968916	134.8
[M]+	205.99370142	155.2
[M]-	205.99479858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe