CID 15070877

1-bromo-2-methylnonane

Structural Information

Molecular Formula

C₁₀H₂₁Br

SMILES

CCCCCCCC(C)CBr

InChI

InChI=1S/C10H21Br/c1-3-4-5-6-7-8-10(2)9-11/h10H,3-9H2,1-2H3

InChIKey

AKUPYXWXVMAYHE-UHFFFAOYSA-N

Compound name

1-bromo-2-methylnonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 220.08266 Da
Monoisotopic Mass: 5.4
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]+	221.08994	149.2
[M+Na]+	243.07188	158.2
[M-H]-	219.07538	151.6
[M+NH4]+	238.11648	171.5
[M+K]+	259.04582	147.6
[M+H-H2O]+	203.07992	149.5
[M+HCOO]-	265.08086	168.3
[M+CH3COO]-	279.09651	190.4
[M+Na-2H]-	241.05733	153.9
[M]+	220.08211	169.5
[M]-	220.08321	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe