CID 3076172

130402-94-7

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CC1CC(=NO1)C(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C13H16N2O2/c1-8-5-4-6-9(2)12(8)14-13(16)11-7-10(3)17-15-11/h4-6,10H,7H2,1-3H3,(H,14,16)

InChIKey

AXMJHTHFYVSXMH-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 232.12119 Da
Monoisotopic Mass: 2.2
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]+	233.128466	153.0
[M+Na]+	255.110408	160.9
[M-H]-	231.113914	159.6
[M+NH4]+	250.155013	170.1
[M+K]+	271.084348	159.3
[M+H-H2O]+	215.118450	145.7
[M+HCOO]-	277.119391	175.5
[M+CH3COO]-	291.135041	193.7
[M+Na-2H]-	253.095856	155.9
[M]+	232.12064142	154.1
[M]-	232.12173858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe