CID 53914

77966-55-3

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

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

InChI

InChI=1S/C11H15ClN2O/c1-8-5-4-6-9(12)11(8)13-10(15)7-14(2)3/h4-6H,7H2,1-3H3,(H,13,15)

InChIKey

BDIOSQPZOBLOHI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.0873 Da
Monoisotopic Mass: 1.3
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]+	227.09458	150.4
[M+Na]+	249.07652	158.1
[M-H]-	225.08002	155.6
[M+NH4]+	244.12112	169.9
[M+K]+	265.05046	155.4
[M+H-H2O]+	209.08456	144.7
[M+HCOO]-	271.08550	171.7
[M+CH3COO]-	285.10115	198.0
[M+Na-2H]-	247.06197	154.1
[M]+	226.08675	153.6
[M]-	226.08785	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe