CID 13491371

1-bromo-6-(tert-butoxy)hexane

Structural Information

Molecular Formula

C₁₀H₂₁BrO

SMILES

CC(C)(C)OCCCCCCBr

InChI

InChI=1S/C10H21BrO/c1-10(2,3)12-9-7-5-4-6-8-11/h4-9H2,1-3H3

InChIKey

TXCMHTLKKDFPMC-UHFFFAOYSA-N

Compound name

1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 236.07758 Da
Monoisotopic Mass: 3.3
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]+	237.08486	152.3
[M+Na]+	259.06680	162.0
[M-H]-	235.07030	154.9
[M+NH4]+	254.11140	174.2
[M+K]+	275.04074	151.7
[M+H-H2O]+	219.07484	152.9
[M+HCOO]-	281.07578	171.1
[M+CH3COO]-	295.09143	191.1
[M+Na-2H]-	257.05225	158.7
[M]+	236.07703	174.1
[M]-	236.07813	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe