CID 199925

Alpha-((1-naphthalenyloxy)methyl)-1-piperidineethanol

Structural Information

Molecular Formula
C18H23NO2
SMILES
C1CCN(CC1)CC(COC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C18H23NO2/c20-16(13-19-11-4-1-5-12-19)14-21-18-10-6-8-15-7-2-3-9-17(15)18/h2-3,6-10,16,20H,1,4-5,11-14H2
InChIKey
YIGFKEFULNCVMP-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

285.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 168.0
[M+Na]+ 308.162098 171.0
[M-H]- 284.165604 171.0
[M+NH4]+ 303.206703 181.7
[M+K]+ 324.136038 166.6
[M+H-H2O]+ 268.170140 158.8
[M+HCOO]- 330.171081 182.9
[M+CH3COO]- 344.186731 176.9
[M+Na-2H]- 306.147546 171.6
[M]+ 285.17233142 163.9
[M]- 285.17342858 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

literature stripe

Patent stripe

patents stripe