CID 94719

9-acridinecarbonitrile

Structural Information

Molecular Formula

C₁₄H₈N₂

SMILES

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

InChI

InChI=1S/C14H8N2/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8H

InChIKey

ZBCDNEFWYPYAGB-UHFFFAOYSA-N

Compound name

acridine-9-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 82
Patents: 204.06874 Da
Monoisotopic Mass: 3.2
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]+	205.07602	147.6
[M+Na]+	227.05796	161.0
[M-H]-	203.06146	150.8
[M+NH4]+	222.10256	165.4
[M+K]+	243.03190	152.5
[M+H-H2O]+	187.06600	133.8
[M+HCOO]-	249.06694	166.4
[M+CH3COO]-	263.08259	159.5
[M+Na-2H]-	225.04341	157.5
[M]+	204.06819	143.8
[M]-	204.06929	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe