CID 98733

2-(m-toluidino)-2-oxazoline

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC1=CC(=CC=C1)NC2=NCCO2

InChI

InChI=1S/C10H12N2O/c1-8-3-2-4-9(7-8)12-10-11-5-6-13-10/h2-4,7H,5-6H2,1H3,(H,11,12)

InChIKey

MKENSKQNBRWBOI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 176.09496 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]+	177.10224	136.2
[M+Na]+	199.08418	143.7
[M-H]-	175.08768	142.4
[M+NH4]+	194.12878	155.2
[M+K]+	215.05812	142.4
[M+H-H2O]+	159.09222	128.9
[M+HCOO]-	221.09316	160.4
[M+CH3COO]-	235.10881	150.0
[M+Na-2H]-	197.06963	143.4
[M]+	176.09441	135.4
[M]-	176.09551	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe