CID 139598227

Ns00001035

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1=CC=C2C(=C1)C(C3=C(N2)C=CC(=C3)O)C=O

InChI

InChI=1S/C14H11NO2/c16-8-12-10-3-1-2-4-13(10)15-14-6-5-9(17)7-11(12)14/h1-8,12,15,17H

InChIKey

ZNYDQBXNIJILKX-UHFFFAOYSA-N

Compound name

2-hydroxy-9,10-dihydroacridine-9-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.07898 Da
Monoisotopic Mass: 2.3
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]+	226.086256	147.3
[M+Na]+	248.068198	156.5
[M-H]-	224.071704	149.0
[M+NH4]+	243.112803	165.1
[M+K]+	264.042138	150.7
[M+H-H2O]+	208.076240	140.5
[M+HCOO]-	270.077181	164.7
[M+CH3COO]-	284.092831	159.2
[M+Na-2H]-	246.053646	155.3
[M]+	225.07843142	145.3
[M]-	225.07952858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.