CID 28913

18144-51-9

Structural Information

Molecular Formula

C₁₅H₁₅NO₃

SMILES

C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C15H15NO3/c17-14(16-8-4-1-5-9-16)12-10-11-6-2-3-7-13(11)19-15(12)18/h2-3,6-7,10H,1,4-5,8-9H2

InChIKey

RPDYHHVRQGESJA-UHFFFAOYSA-N

Compound name

3-(piperidine-1-carbonyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 257.1052 Da
Monoisotopic Mass: 2.4
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]+	258.112476	155.9
[M+Na]+	280.094418	162.5
[M-H]-	256.097924	162.2
[M+NH4]+	275.139023	170.5
[M+K]+	296.068358	160.1
[M+H-H2O]+	240.102460	147.2
[M+HCOO]-	302.103401	173.1
[M+CH3COO]-	316.119051	167.3
[M+Na-2H]-	278.079866	161.6
[M]+	257.10465142	153.7
[M]-	257.10574858	153.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.