CID 6484100

93041-44-2

Structural Information

Molecular Formula

C₁₂H₁₁NO₄

SMILES

CC1=C(C(=NO1)C2=CC=CC=C2OC)C(=O)O

InChI

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

InChIKey

KOQSJBSGCNLIJY-UHFFFAOYSA-N

Compound name

3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 233.0688 Da
Monoisotopic Mass: 1.9
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	149.3
[M+Na]+	256.05802	162.1
[M+NH4]+	251.10262	156.0
[M+K]+	272.03196	159.6
[M-H]-	232.06152	152.2
[M+Na-2H]-	254.04347	155.1
[M]+	233.06825	151.8
[M]-	233.06935	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe