CID 10444765

87078-26-0

Structural Information

Molecular Formula
C15H23NO2
SMILES
C1CCN(CC1)CC2=CC(=CC=C2)OCCCO
InChI
InChI=1S/C15H23NO2/c17-10-5-11-18-15-7-4-6-14(12-15)13-16-8-2-1-3-9-16/h4,6-7,12,17H,1-3,5,8-11,13H2
InChIKey
JACPUZOKPSTMTK-UHFFFAOYSA-N
Compound name
3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

249.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 160.1
[M+Na]+ 272.16210 163.5
[M-H]- 248.16560 162.5
[M+NH4]+ 267.20670 174.7
[M+K]+ 288.13604 160.0
[M+H-H2O]+ 232.17014 151.6
[M+HCOO]- 294.17108 177.4
[M+CH3COO]- 308.18673 191.3
[M+Na-2H]- 270.14755 163.4
[M]+ 249.17233 157.0
[M]- 249.17343 157.0
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