CID 549025

17645-61-3

Structural Information

Molecular Formula

SMILES

C1CC(C=C1)CBr

InChI

InChI=1S/C6H9Br/c7-5-6-3-1-2-4-6/h1,3,6H,2,4-5H2

InChIKey

XDVAWVNHECPISE-UHFFFAOYSA-N

Compound name

3-(bromomethyl)cyclopentene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.98875 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]+	160.99603	130.8
[M+Na]+	182.97797	133.0
[M+NH4]+	178.02257	137.0
[M+K]+	198.95191	133.7
[M-H]-	158.98147	131.5
[M+Na-2H]-	180.96342	133.8
[M]+	159.98820	130.0
[M]-	159.98930	130.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.