CID 31628

Acridine, 9-amino-3-methyl-

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

CC1=CC2=NC3=CC=CC=C3C(=C2C=C1)N

InChI

InChI=1S/C14H12N2/c1-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15/h2-8H,1H3,(H2,15,16)

InChIKey

YDNFAUYKNHHSDV-UHFFFAOYSA-N

Compound name

3-methylacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 208.10005 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]+	209.107326	143.8
[M+Na]+	231.089268	155.0
[M-H]-	207.092774	148.4
[M+NH4]+	226.133873	163.6
[M+K]+	247.063208	149.4
[M+H-H2O]+	191.097310	136.5
[M+HCOO]-	253.098251	166.9
[M+CH3COO]-	267.113901	157.5
[M+Na-2H]-	229.074716	154.1
[M]+	208.09950142	144.4
[M]-	208.10059858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe