CID 3066059

109461-29-2

Structural Information

Molecular Formula

C₁₄H₂₀BrNO

SMILES

CC(C)N1CCOC(C1)(C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H20BrNO/c1-11(2)16-8-9-17-14(3,10-16)12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3

InChIKey

PEAWLJJBROTGEF-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.0728 Da
Monoisotopic Mass: 3.1
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]+	298.080076	161.9
[M+Na]+	320.062018	171.1
[M-H]-	296.065524	169.9
[M+NH4]+	315.106623	180.4
[M+K]+	336.035958	161.6
[M+H-H2O]+	280.070060	161.3
[M+HCOO]-	342.071001	177.0
[M+CH3COO]-	356.086651	199.6
[M+Na-2H]-	318.047466	167.2
[M]+	297.07225142	178.8
[M]-	297.07334858	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.