CID 209512

2-(alpha-cyclopentylbenzyl)-3-methoxypiperidine hydrochloride

Structural Information

Molecular Formula
C18H27NO
SMILES
COC1CCCNC1C(C2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H27NO/c1-20-16-12-7-13-19-18(16)17(15-10-5-6-11-15)14-8-3-2-4-9-14/h2-4,8-9,15-19H,5-7,10-13H2,1H3
InChIKey
LFOIUEXTRFPFPZ-UHFFFAOYSA-N
Compound name
2-[cyclopentyl(phenyl)methyl]-3-methoxypiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 168.6
[M+Na]+ 296.19848 169.6
[M-H]- 272.20198 173.5
[M+NH4]+ 291.24308 183.4
[M+K]+ 312.17242 165.2
[M+H-H2O]+ 256.20652 159.6
[M+HCOO]- 318.20746 182.9
[M+CH3COO]- 332.22311 177.1
[M+Na-2H]- 294.18393 166.6
[M]+ 273.20871 159.8
[M]- 273.20981 159.8
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.