CID 59315074

2248345-98-2

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CC1=CC(=CC(=C1CNC)C)Br

InChI

InChI=1S/C10H14BrN/c1-7-4-9(11)5-8(2)10(7)6-12-3/h4-5,12H,6H2,1-3H3

InChIKey

LHNWXFBLOVDVEU-UHFFFAOYSA-N

Compound name

1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 227.03096 Da
Monoisotopic Mass: 2.7
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	142.2
[M+Na]+	250.02018	154.1
[M-H]-	226.02368	149.0
[M+NH4]+	245.06478	164.4
[M+K]+	265.99412	142.6
[M+H-H2O]+	210.02822	142.1
[M+HCOO]-	272.02916	164.7
[M+CH3COO]-	286.04481	192.5
[M+Na-2H]-	248.00563	149.0
[M]+	227.03041	161.2
[M]-	227.03151	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe