CID 3061094

1-((4-(4-chlorophenyl)-1-oxaspiro(4.5)dec-3-yl)methyl)piperidine hydrochloride

Structural Information

Molecular Formula
C21H30ClNO
SMILES
C1CCC2(CC1)C(C(CO2)CN3CCCCC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H30ClNO/c22-19-9-7-17(8-10-19)20-18(15-23-13-5-2-6-14-23)16-24-21(20)11-3-1-4-12-21/h7-10,18,20H,1-6,11-16H2
InChIKey
BJYXTVVFTFIMKS-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.2016 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20888 188.7
[M+Na]+ 370.19082 190.9
[M-H]- 346.19432 196.9
[M+NH4]+ 365.23542 202.8
[M+K]+ 386.16476 185.5
[M+H-H2O]+ 330.19886 178.6
[M+HCOO]- 392.19980 195.7
[M+CH3COO]- 406.21545 196.3
[M+Na-2H]- 368.17627 186.1
[M]+ 347.20105 180.4
[M]- 347.20215 180.4
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.