CID 51992

73663-89-5

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

COC1=CC2=C(C=C1)N=C3CCCCC3C2=O

InChI

InChI=1S/C14H15NO2/c1-17-9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)15-13/h6-8,10H,2-5H2,1H3

InChIKey

WMUGJACFAGQICB-UHFFFAOYSA-N

Compound name

7-methoxy-2,3,4,9a-tetrahydro-1H-acridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.11028 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]+	230.117556	149.4
[M+Na]+	252.099498	157.2
[M-H]-	228.103004	152.9
[M+NH4]+	247.144103	168.2
[M+K]+	268.073438	153.4
[M+H-H2O]+	212.107540	141.7
[M+HCOO]-	274.108481	166.8
[M+CH3COO]-	288.124131	161.3
[M+Na-2H]-	250.084946	156.1
[M]+	229.10973142	147.9
[M]-	229.11082858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.