CID 135611795

23045-32-1

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)O)N

InChI

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

InChIKey

VRPPSLVVOJJJPC-UHFFFAOYSA-N

Compound name

9-aminoacridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.07932 Da
Monoisotopic Mass: 2.5
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	142.5
[M+Na]+	233.06854	153.6
[M-H]-	209.07204	145.9
[M+NH4]+	228.11314	161.4
[M+K]+	249.04248	148.1
[M+H-H2O]+	193.07658	135.5
[M+HCOO]-	255.07752	164.6
[M+CH3COO]-	269.09317	155.8
[M+Na-2H]-	231.05399	152.9
[M]+	210.07877	142.5
[M]-	210.07987	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe