CID 3089571

842954-77-2

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

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

InChI

InChI=1S/C11H11NO3/c1-11(10(13)14)7-9(12-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)

InChIKey

HHSXXVCKNAZBGR-UHFFFAOYSA-N

Compound name

5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 205.0739 Da
Monoisotopic Mass: 1.6
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]+	206.08118	143.0
[M+Na]+	228.06312	155.0
[M+NH4]+	223.10772	151.8
[M+K]+	244.03706	150.2
[M-H]-	204.06662	146.1
[M+Na-2H]-	226.04857	150.7
[M]+	205.07335	145.6
[M]-	205.07445	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe