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

5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.