CID 170107

38727-56-9

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CCC1=C(C(=CC=C1)CC)NCC(=O)OCC

InChI

InChI=1S/C14H21NO2/c1-4-11-8-7-9-12(5-2)14(11)15-10-13(16)17-6-3/h7-9,15H,4-6,10H2,1-3H3

InChIKey

UHJMECPUUCQFRL-UHFFFAOYSA-N

Compound name

ethyl 2-(2,6-diethylanilino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 235.15723 Da
Monoisotopic Mass: 3.8
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]+	236.16451	156.1
[M+Na]+	258.14645	162.4
[M-H]-	234.14995	159.5
[M+NH4]+	253.19105	174.1
[M+K]+	274.12039	160.2
[M+H-H2O]+	218.15449	149.4
[M+HCOO]-	280.15543	179.7
[M+CH3COO]-	294.17108	196.9
[M+Na-2H]-	256.13190	159.2
[M]+	235.15668	159.3
[M]-	235.15778	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe