CID 54595136

4-(1,3-benzoxazol-2-yloxy)aniline

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)N=C(O2)OC3=CC=C(C=C3)N

InChI

InChI=1S/C13H10N2O2/c14-9-5-7-10(8-6-9)16-13-15-11-3-1-2-4-12(11)17-13/h1-8H,14H2

InChIKey

MCQYHZVIZDWZLQ-UHFFFAOYSA-N

Compound name

4-(1,3-benzoxazol-2-yloxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 226.07423 Da
Monoisotopic Mass: 3.1
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]+	227.08151	146.7
[M+Na]+	249.06345	162.2
[M+NH4]+	244.10805	155.9
[M+K]+	265.03739	156.9
[M-H]-	225.06695	153.0
[M+Na-2H]-	247.04890	156.0
[M]+	226.07368	150.8
[M]-	226.07478	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe