CID 96891

38186-54-8

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O

InChI

InChI=1S/C14H13NO2/c16-14(17)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,(H,16,17)

InChIKey

JYVPWMIZRISTEH-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydroacridine-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 54
Patents: 227.09464 Da
Monoisotopic Mass: 2.9
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]+	228.101916	148.2
[M+Na]+	250.083858	155.4
[M-H]-	226.087364	150.5
[M+NH4]+	245.128463	166.1
[M+K]+	266.057798	151.1
[M+H-H2O]+	210.091900	140.9
[M+HCOO]-	272.092841	164.6
[M+CH3COO]-	286.108491	159.6
[M+Na-2H]-	248.069306	155.1
[M]+	227.09409142	145.4
[M]-	227.09518858	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe