CID 31626

23045-11-6

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

CC1=CC=CC2=NC3=CC=CC=C3C(=C12)N

InChI

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

InChIKey

QDFZZUZHYOGLPL-UHFFFAOYSA-N

Compound name

1-methylacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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]+	209.10733	143.8
[M+Na]+	231.08927	155.0
[M-H]-	207.09277	148.4
[M+NH4]+	226.13387	163.6
[M+K]+	247.06321	149.4
[M+H-H2O]+	191.09731	136.5
[M+HCOO]-	253.09825	166.9
[M+CH3COO]-	267.11390	157.5
[M+Na-2H]-	229.07472	154.1
[M]+	208.09950	144.4
[M]-	208.10060	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe