CID 2775318

103788-64-3

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C13H13NO3/c1-9-11(8-12(15)16-2)14-13(17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3

InChIKey

UDWQWRFEUXUBHR-UHFFFAOYSA-N

Compound name

methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 118
Patents: 231.08954 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]+	232.09682	149.8
[M+Na]+	254.07876	158.7
[M-H]-	230.08226	156.5
[M+NH4]+	249.12336	167.1
[M+K]+	270.05270	157.6
[M+H-H2O]+	214.08680	142.6
[M+HCOO]-	276.08774	173.0
[M+CH3COO]-	290.10339	189.3
[M+Na-2H]-	252.06421	154.1
[M]+	231.08899	154.2
[M]-	231.09009	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe