CID 3061098

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

Structural Information

Molecular Formula
C22H33NO
SMILES
CC1=CC=C(C=C1)C2C(COC23CCCCC3)CN4CCCCC4
InChI
InChI=1S/C22H33NO/c1-18-8-10-19(11-9-18)21-20(16-23-14-6-3-7-15-23)17-24-22(21)12-4-2-5-13-22/h8-11,20-21H,2-7,12-17H2,1H3
InChIKey
BOGKBJJTFWIBSG-UHFFFAOYSA-N
Compound name
1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.25623 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.26351 184.4
[M+Na]+ 350.24545 185.5
[M-H]- 326.24895 192.8
[M+NH4]+ 345.29005 198.6
[M+K]+ 366.21939 181.5
[M+H-H2O]+ 310.25349 174.1
[M+HCOO]- 372.25443 195.8
[M+CH3COO]- 386.27008 192.2
[M+Na-2H]- 348.23090 182.1
[M]+ 327.25568 174.3
[M]- 327.25678 174.3
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.