CID 60811334

Ethyl 2-{[1-(3-bromophenyl)ethyl]amino}acetate

Structural Information

Molecular Formula

C₁₂H₁₆BrNO₂

SMILES

CCOC(=O)CNC(C)C1=CC(=CC=C1)Br

InChI

InChI=1S/C12H16BrNO2/c1-3-16-12(15)8-14-9(2)10-5-4-6-11(13)7-10/h4-7,9,14H,3,8H2,1-2H3

InChIKey

CVHZHYOIAAANME-UHFFFAOYSA-N

Compound name

ethyl 2-[1-(3-bromophenyl)ethylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.03644 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]+	286.043716	158.2
[M+Na]+	308.025658	167.0
[M-H]-	284.029164	163.9
[M+NH4]+	303.070263	177.2
[M+K]+	323.999598	156.3
[M+H-H2O]+	268.033700	156.8
[M+HCOO]-	330.034641	178.7
[M+CH3COO]-	344.050291	199.9
[M+Na-2H]-	306.011106	162.6
[M]+	285.03589142	177.8
[M]-	285.03698858	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.