CID 59674348

911228-68-7

Structural Information

Molecular Formula

C₁₁H₁₄BrNO

SMILES

CC(C)C(=O)N(C)C1=CC=C(C=C1)Br

InChI

InChI=1S/C11H14BrNO/c1-8(2)11(14)13(3)10-6-4-9(12)5-7-10/h4-8H,1-3H3

InChIKey

XRTMTDWGDVQMPO-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-N,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 255.02588 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]+	256.03316	150.3
[M+Na]+	278.01510	159.9
[M-H]-	254.01860	157.7
[M+NH4]+	273.05970	171.2
[M+K]+	293.98904	150.3
[M+H-H2O]+	238.02314	149.4
[M+HCOO]-	300.02408	171.4
[M+CH3COO]-	314.03973	198.5
[M+Na-2H]-	276.00055	154.7
[M]+	255.02533	169.5
[M]-	255.02643	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe