CID 13585217

89892-95-5

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

COC(=O)C1CC(C1)CBr

InChI

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

InChIKey

UWGANZNOSVEEIE-UHFFFAOYSA-N

Compound name

methyl 3-(bromomethyl)cyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.99425 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]+	207.001526	128.8
[M+Na]+	228.983468	138.2
[M-H]-	204.986974	134.9
[M+NH4]+	224.028073	145.4
[M+K]+	244.957408	132.0
[M+H-H2O]+	188.991510	124.9
[M+HCOO]-	250.992451	148.1
[M+CH3COO]-	265.008101	186.3
[M+Na-2H]-	226.968916	134.9
[M]+	205.99370142	155.3
[M]-	205.99479858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe