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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 178.4
[M+Na]+ 338.20904 180.3
[M-H]- 314.21254 186.5
[M+NH4]+ 333.25364 192.8
[M+K]+ 354.18298 177.9
[M+H-H2O]+ 298.21708 169.0
[M+HCOO]- 360.21802 188.4
[M+CH3COO]- 374.23367 186.5
[M+Na-2H]- 336.19449 179.2
[M]+ 315.21927 168.2
[M]- 315.22037 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.