CID 10082036

173944-49-5

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

C1CNCCC12C3=CC=CC=C3CC(=O)N2

InChI

InChI=1S/C13H16N2O/c16-12-9-10-3-1-2-4-11(10)13(15-12)5-7-14-8-6-13/h1-4,14H,5-9H2,(H,15,16)

InChIKey

HPLNLUQJIUYDSU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 216.12627 Da
Monoisotopic Mass: 0.6
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]+	217.133546	150.5
[M+Na]+	239.115488	156.0
[M-H]-	215.118994	150.5
[M+NH4]+	234.160093	167.8
[M+K]+	255.089428	150.3
[M+H-H2O]+	199.123530	142.3
[M+HCOO]-	261.124471	162.5
[M+CH3COO]-	275.140121	160.0
[M+Na-2H]-	237.100936	157.0
[M]+	216.12572142	140.3
[M]-	216.12681858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe