CID 110684

1-piperidineethanol, alpha-(alpha-naphthyloxymethyl)-, hydrochloride

Structural Information

Molecular Formula
C18H23NO2
SMILES
C1CCN(CC1)C(CCOC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C18H23NO2/c20-18(19-12-4-1-5-13-19)11-14-21-17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10,18,20H,1,4-5,11-14H2
InChIKey
CQSNDKFLLOUONV-UHFFFAOYSA-N
Compound name
3-naphthalen-1-yloxy-1-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.0
[M+Na]+ 308.16210 171.0
[M-H]- 284.16560 171.0
[M+NH4]+ 303.20670 181.7
[M+K]+ 324.13604 166.6
[M+H-H2O]+ 268.17014 158.8
[M+HCOO]- 330.17108 182.9
[M+CH3COO]- 344.18673 176.9
[M+Na-2H]- 306.14755 171.6
[M]+ 285.17233 163.9
[M]- 285.17343 163.9
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.