CID 28915

18144-53-1

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

C1CCN(CC1)C(=O)CC2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C16H17NO3/c18-15(17-8-4-1-5-9-17)11-13-10-12-6-2-3-7-14(12)20-16(13)19/h2-3,6-7,10H,1,4-5,8-9,11H2

InChIKey

CQGMUUOGAPIUAY-UHFFFAOYSA-N

Compound name

3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.12085 Da
Monoisotopic Mass: 2.2
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]+	272.128126	160.6
[M+Na]+	294.110068	166.7
[M-H]-	270.113574	166.6
[M+NH4]+	289.154673	174.6
[M+K]+	310.084008	164.1
[M+H-H2O]+	254.118110	151.7
[M+HCOO]-	316.119051	177.4
[M+CH3COO]-	330.134701	171.6
[M+Na-2H]-	292.095516	165.8
[M]+	271.12030142	158.7
[M]-	271.12139858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.