CID 11385

3-aminoacridine

Structural Information

Molecular Formula

C₁₃H₁₀N₂

SMILES

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

InChI

InChI=1S/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2

InChIKey

GHCKERHPOQWERJ-UHFFFAOYSA-N

Compound name

acridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 221
Patents: 194.0844 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]+	195.091676	138.4
[M+Na]+	217.073618	149.2
[M-H]-	193.077124	142.8
[M+NH4]+	212.118223	158.5
[M+K]+	233.047558	143.8
[M+H-H2O]+	177.081660	131.1
[M+HCOO]-	239.082601	161.9
[M+CH3COO]-	253.098251	152.2
[M+Na-2H]-	215.059066	150.1
[M]+	194.08385142	138.3
[M]-	194.08494858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe