CID 199647

Beta-phenyl-1-piperidineethanol

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

C1CCN(CC1)C(CO)C2=CC=CC=C2

InChI

InChI=1S/C13H19NO/c15-11-13(12-7-3-1-4-8-12)14-9-5-2-6-10-14/h1,3-4,7-8,13,15H,2,5-6,9-11H2

InChIKey

WBDNHYWAUADMHW-UHFFFAOYSA-N

Compound name

2-phenyl-2-piperidin-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 205.14667 Da
Monoisotopic Mass: 2.0
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]+	206.153946	148.3
[M+Na]+	228.135888	151.5
[M-H]-	204.139394	150.8
[M+NH4]+	223.180493	164.4
[M+K]+	244.109828	148.4
[M+H-H2O]+	188.143930	140.4
[M+HCOO]-	250.144871	165.1
[M+CH3COO]-	264.160521	183.0
[M+Na-2H]-	226.121336	152.2
[M]+	205.14612142	142.1
[M]-	205.14721858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe