CID 1935

Tacrine

Structural Information

Molecular Formula

C₁₃H₁₄N₂

SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)N

InChI

InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)

InChIKey

YLJREFDVOIBQDA-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydroacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2313
References: 50958
Patents: 198.11569 Da
Monoisotopic Mass: 2.7
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]+	199.12297	141.5
[M+Na]+	221.10491	149.1
[M-H]-	197.10841	144.7
[M+NH4]+	216.14951	161.0
[M+K]+	237.07885	144.3
[M+H-H2O]+	181.11295	134.0
[M+HCOO]-	243.11389	160.6
[M+CH3COO]-	257.12954	153.6
[M+Na-2H]-	219.09036	150.0
[M]+	198.11514	137.0
[M]-	198.11624	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe