CID 615208

3-(piperidin-1-yl)-4h-chromen-4-one

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

C1CCN(CC1)C2=COC3=CC=CC=C3C2=O

InChI

InChI=1S/C14H15NO2/c16-14-11-6-2-3-7-13(11)17-10-12(14)15-8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2

InChIKey

JKPBBAWTUKRUGO-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 6
Patents: 229.11028 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]+	230.117556	149.0
[M+Na]+	252.099498	156.2
[M-H]-	228.103004	155.4
[M+NH4]+	247.144103	165.0
[M+K]+	268.073438	153.4
[M+H-H2O]+	212.107540	140.5
[M+HCOO]-	274.108481	167.2
[M+CH3COO]-	288.124131	161.1
[M+Na-2H]-	250.084946	156.4
[M]+	229.10973142	146.5
[M]-	229.11082858	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe