CID 2734658

(bromomethyl)cyclobutane

Structural Information

Molecular Formula

SMILES

C1CC(C1)CBr

InChI

InChI=1S/C5H9Br/c6-4-5-2-1-3-5/h5H,1-4H2

InChIKey

FLHFTXCMKFVKRP-UHFFFAOYSA-N

Compound name

bromomethylcyclobutane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4473
Patents: 147.98875 Da
Monoisotopic Mass: 2.3
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]+	148.996026	114.5
[M+Na]+	170.977968	124.3
[M-H]-	146.981474	120.7
[M+NH4]+	166.022573	133.3
[M+K]+	186.951908	117.9
[M+H-H2O]+	130.986010	111.5
[M+HCOO]-	192.986951	134.9
[M+CH3COO]-	207.002601	177.1
[M+Na-2H]-	168.963416	123.8
[M]+	147.98820142	138.8
[M]-	147.98929858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe