CID 3076191

Brn 5853002

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)CO

InChI

InChI=1S/C13H14N2O3/c1-8-4-3-5-9(2)12(8)14-13(17)11-6-10(7-16)18-15-11/h3-6,16H,7H2,1-2H3,(H,14,17)

InChIKey

INTCSWFXEXGUFR-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 246.10045 Da
Monoisotopic Mass: 1.4
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]+	247.10773	155.7
[M+Na]+	269.08967	167.5
[M+NH4]+	264.13427	162.2
[M+K]+	285.06361	164.5
[M-H]-	245.09317	159.2
[M+Na-2H]-	267.07512	161.3
[M]+	246.09990	158.1
[M]-	246.10100	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe