CID 113382

38954-40-4

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCN(CCOC(=O)C)C1=CC=CC=C1

InChI

InChI=1S/C12H17NO2/c1-3-13(9-10-15-11(2)14)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3

InChIKey

GPCCXIVDZANEJZ-UHFFFAOYSA-N

Compound name

2-(N-ethylanilino)ethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 143
Patents: 207.12593 Da
Monoisotopic Mass: 2.0
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]+	208.13321	147.6
[M+Na]+	230.11515	158.7
[M+NH4]+	225.15975	155.6
[M+K]+	246.08909	152.6
[M-H]-	206.11865	150.1
[M+Na-2H]-	228.10060	154.2
[M]+	207.12538	149.7
[M]-	207.12648	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe