CID 33718

2-anilino-2-oxazoline

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

C1COC(=N1)NC2=CC=CC=C2

InChI

InChI=1S/C9H10N2O/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h1-5H,6-7H2,(H,10,11)

InChIKey

CIDMUJMGDBSMQW-UHFFFAOYSA-N

Compound name

N-phenyl-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 139
Patents: 162.07932 Da
Monoisotopic Mass: 1.2
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]+	163.086596	131.2
[M+Na]+	185.068538	138.2
[M-H]-	161.072044	137.2
[M+NH4]+	180.113143	150.5
[M+K]+	201.042478	137.2
[M+H-H2O]+	145.076580	123.9
[M+HCOO]-	207.077521	155.7
[M+CH3COO]-	221.093171	145.1
[M+Na-2H]-	183.053986	139.7
[M]+	162.07877142	129.7
[M]-	162.07986858	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe