CID 44629944

4-bromo-n,n,3,5-tetramethylaniline

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CC1=CC(=CC(=C1Br)C)N(C)C

InChI

InChI=1S/C10H14BrN/c1-7-5-9(12(3)4)6-8(2)10(7)11/h5-6H,1-4H3

InChIKey

AQJHDBKXJXXDKV-UHFFFAOYSA-N

Compound name

4-bromo-N,N,3,5-tetramethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 227.03096 Da
Monoisotopic Mass: 3.5
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]+	228.03824	141.6
[M+Na]+	250.02018	153.7
[M-H]-	226.02368	149.8
[M+NH4]+	245.06478	164.5
[M+K]+	265.99412	143.6
[M+H-H2O]+	210.02822	141.3
[M+HCOO]-	272.02916	164.6
[M+CH3COO]-	286.04481	195.8
[M+Na-2H]-	248.00563	147.7
[M]+	227.03041	161.8
[M]-	227.03151	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe