CID 3076173

130402-96-9

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C12H12N2O2/c1-8-4-3-5-9(2)11(8)13-12(15)10-6-7-16-14-10/h3-7H,1-2H3,(H,13,15)

InChIKey

VYKUNGOUPUSNLD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 216.08987 Da
Monoisotopic Mass: 2.3
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]+	217.097146	146.9
[M+Na]+	239.079088	155.4
[M-H]-	215.082594	153.7
[M+NH4]+	234.123693	164.4
[M+K]+	255.053028	153.9
[M+H-H2O]+	199.087130	139.5
[M+HCOO]-	261.088071	171.2
[M+CH3COO]-	275.103721	189.1
[M+Na-2H]-	237.064536	152.1
[M]+	216.08932142	148.7
[M]-	216.09041858	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe