CID 5272168

Schembl29226423

Structural Information

Molecular Formula

C₁₅H₁₃NO₂

SMILES

CC(C1=CC=CC=C1)(C2=NC3=CC=CC=C3O2)O

InChI

InChI=1S/C15H13NO2/c1-15(17,11-7-3-2-4-8-11)14-16-12-9-5-6-10-13(12)18-14/h2-10,17H,1H3

InChIKey

KLVMJUJONVOJGC-UHFFFAOYSA-N

Compound name

1-(1,3-benzoxazol-2-yl)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 239.09464 Da
Monoisotopic Mass: 2.8
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]+	240.101916	151.7
[M+Na]+	262.083858	161.3
[M-H]-	238.087364	158.2
[M+NH4]+	257.128463	168.9
[M+K]+	278.057798	158.0
[M+H-H2O]+	222.091900	144.9
[M+HCOO]-	284.092841	173.0
[M+CH3COO]-	298.108491	165.0
[M+Na-2H]-	260.069306	161.0
[M]+	239.09409142	154.2
[M]-	239.09518858	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe