CID 721870

62129-02-6

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

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

InChI

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

InChIKey

JVPMCQUVQZEYKJ-UHFFFAOYSA-N

Compound name

4-amino-2-(1,3-benzoxazol-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 15
Patents: 226.07423 Da
Monoisotopic Mass: 2.4
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	146.4
[M+Na]+	249.06345	157.5
[M-H]-	225.06695	153.1
[M+NH4]+	244.10805	164.0
[M+K]+	265.03739	153.7
[M+H-H2O]+	209.07149	139.4
[M+HCOO]-	271.07243	170.3
[M+CH3COO]-	285.08808	160.3
[M+Na-2H]-	247.04890	154.0
[M]+	226.07368	148.0
[M]-	226.07478	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe