CID 3047207

63039-97-4

Structural Information

Molecular Formula

C₁₈H₂₉NO

SMILES

CCCCC(CCN1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C18H29NO/c1-2-3-12-18(20,17-10-6-4-7-11-17)13-16-19-14-8-5-9-15-19/h4,6-7,10-11,20H,2-3,5,8-9,12-16H2,1H3

InChIKey

OSYUYPKUXLFHIU-UHFFFAOYSA-N

Compound name

3-phenyl-1-piperidin-1-ylheptan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 275.2249 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.232176	170.7
[M+Na]+	298.214118	172.4
[M-H]-	274.217624	172.4
[M+NH4]+	293.258723	184.1
[M+K]+	314.188058	168.0
[M+H-H2O]+	258.222160	162.2
[M+HCOO]-	320.223101	185.1
[M+CH3COO]-	334.238751	197.5
[M+Na-2H]-	296.199566	173.8
[M]+	275.22435142	166.4
[M]-	275.22544858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe