CID 204742

Wv 831

Structural Information

Molecular Formula

C₁₄H₂₂BrNO

SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCCN(C)C

InChI

InChI=1S/C14H22BrNO/c1-10(2)12-9-13(15)11(3)8-14(12)17-7-6-16(4)5/h8-10H,6-7H2,1-5H3

InChIKey

GJTLWIFFKUNIMF-UHFFFAOYSA-N

Compound name

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 299.08847 Da
Monoisotopic Mass: 4.0
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]+	300.09575	163.9
[M+Na]+	322.07769	173.9
[M-H]-	298.08119	171.3
[M+NH4]+	317.12229	183.7
[M+K]+	338.05163	163.7
[M+H-H2O]+	282.08573	162.5
[M+HCOO]-	344.08667	184.7
[M+CH3COO]-	358.10232	209.7
[M+Na-2H]-	320.06314	166.5
[M]+	299.08792	186.1
[M]-	299.08902	186.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe