CID 106218

2-undecene, 1-bromo-

Structural Information

Molecular Formula

C₁₁H₂₁Br

SMILES

CCCCCCCCC=CCBr

InChI

InChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10H,2-8,11H2,1H3

InChIKey

WQPPYGIJSDTEIQ-UHFFFAOYSA-N

Compound name

1-bromoundec-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.08266 Da
Monoisotopic Mass: 5.5
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]+	233.08994	151.1
[M+Na]+	255.07188	160.3
[M-H]-	231.07538	153.3
[M+NH4]+	250.11648	172.9
[M+K]+	271.04582	148.5
[M+H-H2O]+	215.07992	151.3
[M+HCOO]-	277.08086	171.0
[M+CH3COO]-	291.09651	191.0
[M+Na-2H]-	253.05733	156.6
[M]+	232.08211	171.7
[M]-	232.08321	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.