CID 3061096

4-(4-methylphenyl)-3-(1-piperidinylmethyl)-1-oxaspiro(4.5)decan-2-one hydrochloride

Structural Information

Molecular Formula
C22H31NO2
SMILES
CC1=CC=C(C=C1)C2C(C(=O)OC23CCCCC3)CN4CCCCC4
InChI
InChI=1S/C22H31NO2/c1-17-8-10-18(11-9-17)20-19(16-23-14-6-3-7-15-23)21(24)25-22(20)12-4-2-5-13-22/h8-11,19-20H,2-7,12-16H2,1H3
InChIKey
BHQFPQIQINAKQI-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-3-(piperidin-1-ylmethyl)-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 186.6
[M+Na]+ 364.22469 188.8
[M-H]- 340.22819 195.5
[M+NH4]+ 359.26929 200.4
[M+K]+ 380.19863 184.8
[M+H-H2O]+ 324.23273 176.6
[M+HCOO]- 386.23367 198.4
[M+CH3COO]- 400.24932 194.6
[M+Na-2H]- 362.21014 183.9
[M]+ 341.23492 177.7
[M]- 341.23602 177.7
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.