CID 2050002

159635-39-9

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

C1CNCCC12CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C13H15NO2/c15-11-9-13(5-7-14-8-6-13)16-12-4-2-1-3-10(11)12/h1-4,14H,5-9H2

InChIKey

QHNDQKSXDVVXIB-UHFFFAOYSA-N

Compound name

spiro[3H-chromene-2,4'-piperidine]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 330
Patents: 217.11028 Da
Monoisotopic Mass: 1.3
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]+	218.11756	149.7
[M+Na]+	240.09950	162.5
[M+NH4]+	235.14410	160.4
[M+K]+	256.07344	153.5
[M-H]-	216.10300	154.3
[M+Na-2H]-	238.08495	156.5
[M]+	217.10973	152.9
[M]-	217.11083	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe