CID 24843832

102504-65-4

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

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

InChI

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

InChIKey

VATWDVXJPPZMOK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	150.7
[M+Na]+	249.076518	158.0
[M-H]-	225.080024	154.6
[M+NH4]+	244.121123	169.6
[M+K]+	265.050458	154.4
[M+H-H2O]+	209.084560	145.4
[M+HCOO]-	271.085501	170.6
[M+CH3COO]-	285.101151	195.5
[M+Na-2H]-	247.061966	153.9
[M]+	226.08675142	152.1
[M]-	226.08784858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe