CID 16641466

58492-77-6

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

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

InChI

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

InChIKey

FZOLFKJKTKFVPO-UHFFFAOYSA-N

Compound name

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.0739 Da
Monoisotopic Mass: 1.2
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]+	206.08118	142.6
[M+Na]+	228.06312	156.1
[M+NH4]+	223.10772	150.4
[M+K]+	244.03706	152.3
[M-H]-	204.06662	146.4
[M+Na-2H]-	226.04857	149.8
[M]+	205.07335	145.6
[M]-	205.07445	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe