CID 53920

77966-59-7

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

CCNCC(=O)NC1=C(C=CC=C1Cl)C

InChI

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

InChIKey

LERRHFVVILLWHM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.0873 Da
Monoisotopic Mass: 1.2
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]+	227.094576	150.5
[M+Na]+	249.076518	158.1
[M-H]-	225.080024	154.2
[M+NH4]+	244.121123	169.4
[M+K]+	265.050458	154.0
[M+H-H2O]+	209.084560	145.1
[M+HCOO]-	271.085501	171.4
[M+CH3COO]-	285.101151	194.6
[M+Na-2H]-	247.061966	155.0
[M]+	226.08675142	152.5
[M]-	226.08784858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe