CID 19085830

185525-49-9

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

C1CNCCC12CC3=CC=CC=C3C2=O

InChI

InChI=1S/C13H15NO/c15-12-11-4-2-1-3-10(11)9-13(12)5-7-14-8-6-13/h1-4,14H,5-9H2

InChIKey

OQYGRYBPALDMPC-UHFFFAOYSA-N

Compound name

spiro[3H-indene-2,4'-piperidine]-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 201.11537 Da
Monoisotopic Mass: 1.6
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]+	202.12265	145.8
[M+Na]+	224.10459	152.6
[M-H]-	200.10809	149.2
[M+NH4]+	219.14919	167.8
[M+K]+	240.07853	147.8
[M+H-H2O]+	184.11263	139.0
[M+HCOO]-	246.11357	162.9
[M+CH3COO]-	260.12922	157.5
[M+Na-2H]-	222.09004	150.9
[M]+	201.11482	139.1
[M]-	201.11592	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe