CID 88733

20934-81-0

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

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

InChI

InChI=1S/C13H10N2O/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2

InChIKey

XZYQBYQGHHGXBC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 430
Patents: 210.07932 Da
Monoisotopic Mass: 2.7
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]+	211.08660	142.6
[M+Na]+	233.06854	153.3
[M-H]-	209.07204	150.2
[M+NH4]+	228.11314	161.3
[M+K]+	249.04248	149.7
[M+H-H2O]+	193.07658	135.2
[M+HCOO]-	255.07752	167.8
[M+CH3COO]-	269.09317	157.0
[M+Na-2H]-	231.05399	151.3
[M]+	210.07877	144.1
[M]-	210.07987	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe