CID 333189

57598-33-1

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC1(COC(=N1)C2=CC=CC=C2OC)C

InChI

InChI=1S/C12H15NO2/c1-12(2)8-15-11(13-12)9-6-4-5-7-10(9)14-3/h4-7H,8H2,1-3H3

InChIKey

ZGDUNGBWVZKWGE-UHFFFAOYSA-N

Compound name

2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 223
Patents: 205.11028 Da
Monoisotopic Mass: 2.0
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]+	206.11756	142.7
[M+Na]+	228.09950	152.0
[M-H]-	204.10300	149.4
[M+NH4]+	223.14410	163.2
[M+K]+	244.07344	151.2
[M+H-H2O]+	188.10754	136.3
[M+HCOO]-	250.10848	165.5
[M+CH3COO]-	264.12413	184.7
[M+Na-2H]-	226.08495	149.0
[M]+	205.10973	145.6
[M]-	205.11083	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe