CID 16641466

(5-(4-methoxyphenyl)-3-isoxazolyl)methanol

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: 3
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]+	206.081176	141.4
[M+Na]+	228.063118	150.6
[M-H]-	204.066624	146.8
[M+NH4]+	223.107723	159.0
[M+K]+	244.037058	149.2
[M+H-H2O]+	188.071160	134.6
[M+HCOO]-	250.072101	164.5
[M+CH3COO]-	264.087751	181.3
[M+Na-2H]-	226.048566	147.5
[M]+	205.07335142	144.5
[M]-	205.07444858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe