CID 71316539

35891-75-9

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCNC(C)C(=O)NC1=CC=CC=C1C

InChI

InChI=1S/C12H18N2O/c1-4-13-10(3)12(15)14-11-8-6-5-7-9(11)2/h5-8,10,13H,4H2,1-3H3,(H,14,15)

InChIKey

NAXASDSUCOOCOT-UHFFFAOYSA-N

Compound name

2-(ethylamino)-N-(2-methylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.1419 Da
Monoisotopic Mass: 1.6
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]+	207.149176	148.9
[M+Na]+	229.131118	154.0
[M-H]-	205.134624	152.3
[M+NH4]+	224.175723	167.3
[M+K]+	245.105058	152.2
[M+H-H2O]+	189.139160	142.1
[M+HCOO]-	251.140101	172.9
[M+CH3COO]-	265.155751	193.5
[M+Na-2H]-	227.116566	152.7
[M]+	206.14135142	148.1
[M]-	206.14244858	148.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.