CID 24843823

O-propionotoluidide, 3-bromo-n-(2-methoxyethyl)-

Structural Information

Molecular Formula

C₁₃H₁₈BrNO₂

SMILES

CC1=CC=CC=C1N(CCOC)C(=O)CCBr

InChI

InChI=1S/C13H18BrNO2/c1-11-5-3-4-6-12(11)15(9-10-17-2)13(16)7-8-14/h3-6H,7-10H2,1-2H3

InChIKey

MEPCRSXIPWDUQR-UHFFFAOYSA-N

Compound name

3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.0521 Da
Monoisotopic Mass: 2.2
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]+	300.059376	162.1
[M+Na]+	322.041318	171.0
[M-H]-	298.044824	169.0
[M+NH4]+	317.085923	181.3
[M+K]+	338.015258	160.9
[M+H-H2O]+	282.049360	160.4
[M+HCOO]-	344.050301	183.7
[M+CH3COO]-	358.065951	205.1
[M+Na-2H]-	320.026766	166.5
[M]+	299.05155142	183.9
[M]-	299.05264858	183.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.