CID 19320

3666-66-8

Structural Information

Molecular Formula

C₂₀H₂₉NO₂

SMILES

CC1(CCC2(CC1)OCC(O2)C3CCCCN3)C4=CC=CC=C4

InChI

InChI=1S/C20H29NO2/c1-19(16-7-3-2-4-8-16)10-12-20(13-11-19)22-15-18(23-20)17-9-5-6-14-21-17/h2-4,7-8,17-18,21H,5-6,9-15H2,1H3

InChIKey

AGHOAVQZORIBGN-UHFFFAOYSA-N

Compound name

2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 315.21982 Da
Monoisotopic Mass: 3.7
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]+	316.227096	178.4
[M+Na]+	338.209038	180.3
[M-H]-	314.212544	186.5
[M+NH4]+	333.253643	192.8
[M+K]+	354.182978	177.9
[M+H-H2O]+	298.217080	169.0
[M+HCOO]-	360.218021	188.4
[M+CH3COO]-	374.233671	186.5
[M+Na-2H]-	336.194486	179.2
[M]+	315.21927142	168.2
[M]-	315.22036858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.