CID 54594474

Methyl 2-(4-bromophenyl)-2-(methylamino)propanoate

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂

SMILES

CC(C1=CC=C(C=C1)Br)(C(=O)OC)NC

InChI

InChI=1S/C11H14BrNO2/c1-11(13-2,10(14)15-3)8-4-6-9(12)7-5-8/h4-7,13H,1-3H3

InChIKey

WRLSMSOTHBWPSM-UHFFFAOYSA-N

Compound name

methyl 2-(4-bromophenyl)-2-(methylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.02078 Da
Monoisotopic Mass: 2.3
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]+	272.028056	153.5
[M+Na]+	294.009998	163.5
[M-H]-	270.013504	159.6
[M+NH4]+	289.054603	173.2
[M+K]+	309.983938	152.9
[M+H-H2O]+	254.018040	152.9
[M+HCOO]-	316.018981	173.8
[M+CH3COO]-	330.034631	196.6
[M+Na-2H]-	291.995446	160.3
[M]+	271.02023142	173.0
[M]-	271.02132858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.