CID 24415

Monoethylglycinexylidide

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

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

InChI

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

InChIKey

WRMRXPASUROZGT-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-2-(ethylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 385
References: 603
Patents: 206.1419 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]+	207.149176	148.0
[M+Na]+	229.131118	154.4
[M-H]-	205.134624	151.8
[M+NH4]+	224.175723	166.9
[M+K]+	245.105058	152.1
[M+H-H2O]+	189.139160	141.5
[M+HCOO]-	251.140101	173.1
[M+CH3COO]-	265.155751	193.8
[M+Na-2H]-	227.116566	152.5
[M]+	206.14135142	148.3
[M]-	206.14244858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe