CID 31897

2-(o-ethylanilino)-2-oxazoline

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CCC1=CC=CC=C1NC2=NCCO2

InChI

InChI=1S/C11H14N2O/c1-2-9-5-3-4-6-10(9)13-11-12-7-8-14-11/h3-6H,2,7-8H2,1H3,(H,12,13)

InChIKey

VEQHFFSQPNYXTE-UHFFFAOYSA-N

Compound name

N-(2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 190.11061 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]+	191.11789	142.0
[M+Na]+	213.09983	154.5
[M+NH4]+	208.14443	150.8
[M+K]+	229.07377	149.6
[M-H]-	189.10333	147.3
[M+Na-2H]-	211.08528	149.8
[M]+	190.11006	145.2
[M]-	190.11116	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe