CID 22831703

887408-16-4

Structural Information

Molecular Formula

C₁₁H₉NO₄

SMILES

COC1=CC=CC(=C1)C2=C(C=NO2)C(=O)O

InChI

InChI=1S/C11H9NO4/c1-15-8-4-2-3-7(5-8)10-9(11(13)14)6-12-16-10/h2-6H,1H3,(H,13,14)

InChIKey

FCWFSEYDZRYAPT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 219.05316 Da
Monoisotopic Mass: 1.5
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]+	220.06044	145.0
[M+Na]+	242.04238	157.7
[M+NH4]+	237.08698	151.8
[M+K]+	258.01632	155.1
[M-H]-	218.04588	147.8
[M+Na-2H]-	240.02783	151.3
[M]+	219.05261	147.4
[M]-	219.05371	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe