CID 40419095

391248-24-1

Structural Information

Molecular Formula

C₁₂H₁₁NO₄

SMILES

CCOC(=O)C1=C(OC=N1)C2=CC=C(C=C2)O

InChI

InChI=1S/C12H11NO4/c1-2-16-12(15)10-11(17-7-13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3

InChIKey

MWGLPVVMBIZBNR-UHFFFAOYSA-N

Compound name

ethyl 5-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 233.0688 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]+	234.07608	149.7
[M+Na]+	256.05802	162.2
[M+NH4]+	251.10262	156.4
[M+K]+	272.03196	159.4
[M-H]-	232.06152	152.5
[M+Na-2H]-	254.04347	155.7
[M]+	233.06825	152.1
[M]-	233.06935	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe