CID 43407394

Methyl 2-[2-(2,6-dichlorophenyl)-n-methylacetamido]acetate

Structural Information

Molecular Formula

C₁₂H₁₃Cl₂NO₃

SMILES

CN(CC(=O)OC)C(=O)CC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C12H13Cl2NO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3

InChIKey

LGBOFWZQOIRSJS-UHFFFAOYSA-N

Compound name

methyl 2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.02725 Da
Monoisotopic Mass: 2.5
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]+	290.034526	159.0
[M+Na]+	312.016468	167.6
[M-H]-	288.019974	163.7
[M+NH4]+	307.061073	176.7
[M+K]+	327.990408	164.2
[M+H-H2O]+	272.024510	154.5
[M+HCOO]-	334.025451	173.8
[M+CH3COO]-	348.041101	203.9
[M+Na-2H]-	310.001916	160.4
[M]+	289.02670142	166.2
[M]-	289.02779858	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe