CID 53924

77966-62-2

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)CNC

InChI

InChI=1S/C10H13ClN2O/c1-7-4-3-5-8(11)10(7)13-9(14)6-12-2/h3-5,12H,6H2,1-2H3,(H,13,14)

InChIKey

PGFUMTLWMBTWHE-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-2-(methylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.07164 Da
Monoisotopic Mass: 0.8
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]+	213.078916	145.9
[M+Na]+	235.060858	153.9
[M-H]-	211.064364	149.8
[M+NH4]+	230.105463	165.3
[M+K]+	251.034798	150.0
[M+H-H2O]+	195.068900	140.6
[M+HCOO]-	257.069841	167.1
[M+CH3COO]-	271.085491	191.5
[M+Na-2H]-	233.046306	150.9
[M]+	212.07109142	147.5
[M]-	212.07218858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe