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: 488
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]+	207.14918	148.0
[M+Na]+	229.13112	154.4
[M-H]-	205.13462	151.8
[M+NH4]+	224.17572	166.9
[M+K]+	245.10506	152.1
[M+H-H2O]+	189.13916	141.5
[M+HCOO]-	251.14010	173.1
[M+CH3COO]-	265.15575	193.8
[M+Na-2H]-	227.11657	152.5
[M]+	206.14135	148.3
[M]-	206.14245	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe