CID 20447693

5-(bromomethyl)undecane

Structural Information

Molecular Formula

C₁₂H₂₅Br

SMILES

CCCCCCC(CCCC)CBr

InChI

InChI=1S/C12H25Br/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12H,3-11H2,1-2H3

InChIKey

PQAMWMMOUKNGEL-UHFFFAOYSA-N

Compound name

5-(bromomethyl)undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 248.11395 Da
Monoisotopic Mass: 6.3
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]+	249.12123	156.0
[M+Na]+	271.10317	156.9
[M+NH4]+	266.14777	160.5
[M+K]+	287.07711	155.3
[M-H]-	247.10667	154.9
[M+Na-2H]-	269.08862	156.1
[M]+	248.11340	154.5
[M]-	248.11450	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe