CID 162345472

Ns00133082

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1=CC2C(C3=C(C=CC=C3O)N=C2C=C1)C=O

InChI

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

InChIKey

RNQOSFMPWNOECI-UHFFFAOYSA-N

Compound name

1-hydroxy-8a,9-dihydroacridine-9-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.07898 Da
Monoisotopic Mass: 1.6
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	147.1
[M+Na]+	248.068198	156.6
[M-H]-	224.071704	150.1
[M+NH4]+	243.112803	165.6
[M+K]+	264.042138	151.7
[M+H-H2O]+	208.076240	139.9
[M+HCOO]-	270.077181	165.9
[M+CH3COO]-	284.092831	159.6
[M+Na-2H]-	246.053646	155.5
[M]+	225.07843142	146.8
[M]-	225.07952858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.