CID 154699711

Ns00117452

Structural Information

Molecular Formula
C15H23NO3
SMILES
C1CCN(C(C1)O)CC2=CC(=CC=C2)OCCCO
InChI
InChI=1S/C15H23NO3/c17-9-4-10-19-14-6-3-5-13(11-14)12-16-8-2-1-7-15(16)18/h3,5-6,11,15,17-18H,1-2,4,7-10,12H2
InChIKey
JOBXIACVHWADOM-UHFFFAOYSA-N
Compound name
1-[[3-(3-hydroxypropoxy)phenyl]methyl]piperidin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 163.4
[M+Na]+ 288.15702 167.2
[M-H]- 264.16052 164.8
[M+NH4]+ 283.20162 176.9
[M+K]+ 304.13096 163.4
[M+H-H2O]+ 248.16506 155.2
[M+HCOO]- 310.16600 179.3
[M+CH3COO]- 324.18165 192.0
[M+Na-2H]- 286.14247 165.6
[M]+ 265.16725 160.3
[M]- 265.16835 160.3
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

No patent data available for this compound.