CID 20590612

2-(phenethylamino)-2-oxazoline

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1COC(=N1)NCCC2=CC=CC=C2

InChI

InChI=1S/C11H14N2O/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11/h1-5H,6-9H2,(H,12,13)

InChIKey

DEHMNHUFKPSTFA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 190.11061 Da
Monoisotopic Mass: 1.6
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	140.5
[M+Na]+	213.09983	146.6
[M-H]-	189.10333	146.1
[M+NH4]+	208.14443	158.6
[M+K]+	229.07377	145.1
[M+H-H2O]+	173.10787	132.7
[M+HCOO]-	235.10881	164.3
[M+CH3COO]-	249.12446	182.0
[M+Na-2H]-	211.08528	147.9
[M]+	190.11006	139.6
[M]-	190.11116	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe