CID 20271

1-bromoeicosane

Structural Information

Molecular Formula

C₂₀H₄₁Br

SMILES

CCCCCCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C20H41Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3

InChIKey

CZASMUMJSKOHFJ-UHFFFAOYSA-N

Compound name

1-bromoicosane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 910
Patents: 360.23917 Da
Monoisotopic Mass: 11.4
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]+	361.24645	193.3
[M+Na]+	383.22839	198.5
[M-H]-	359.23189	193.7
[M+NH4]+	378.27299	210.2
[M+K]+	399.20233	184.9
[M+H-H2O]+	343.23643	191.5
[M+HCOO]-	405.23737	210.0
[M+CH3COO]-	419.25302	217.6
[M+Na-2H]-	381.21384	193.8
[M]+	360.23862	217.6
[M]-	360.23972	217.6

Literature stripe

literature stripe

Patent stripe

patents stripe