CID 532135

7160-08-9

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

CC(C)C(=O)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C10H12BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)

InChIKey

AVQYIQZFJLEKGK-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-2-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 21
Patents: 241.01022 Da
Monoisotopic Mass: 2.6
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]+	242.01750	146.2
[M+Na]+	263.99944	156.1
[M-H]-	240.00294	152.4
[M+NH4]+	259.04404	167.0
[M+K]+	279.97338	145.3
[M+H-H2O]+	224.00748	145.6
[M+HCOO]-	286.00842	167.2
[M+CH3COO]-	300.02407	192.3
[M+Na-2H]-	261.98489	151.8
[M]+	241.00967	163.9
[M]-	241.01077	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe