CID 3050595

8-amino-6b,9a-dihydroacenaphth(1,2-d)oxazole hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

C1=CC2=C3C(=C1)C4C(C3=CC=C2)OC(=N4)N

InChI

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

InChIKey

KKKMAKTVROTMEJ-UHFFFAOYSA-N

Compound name

6b,9a-dihydroacenaphthyleno[1,2-d][1,3]oxazol-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.07932 Da
Monoisotopic Mass: 1.8
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]+	211.086596	141.6
[M+Na]+	233.068538	152.3
[M-H]-	209.072044	147.2
[M+NH4]+	228.113143	164.6
[M+K]+	249.042478	148.8
[M+H-H2O]+	193.076580	136.0
[M+HCOO]-	255.077521	163.0
[M+CH3COO]-	269.093171	155.7
[M+Na-2H]-	231.053986	148.6
[M]+	210.07877142	143.5
[M]-	210.07986858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe