CID 37121

2-(alpha-methylbenzylamino)-2-oxazoline

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CC(C1=CC=CC=C1)NC2=NCCO2

InChI

InChI=1S/C11H14N2O/c1-9(10-5-3-2-4-6-10)13-11-12-7-8-14-11/h2-6,9H,7-8H2,1H3,(H,12,13)

InChIKey

WYPMHBYVJVHWTK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 190.11061 Da
Monoisotopic Mass: 1.5
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	142.5
[M+Na]+	213.09983	154.2
[M+NH4]+	208.14443	151.1
[M+K]+	229.07377	149.9
[M-H]-	189.10333	147.5
[M+Na-2H]-	211.08528	150.1
[M]+	190.11006	145.4
[M]-	190.11116	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe