CID 3019409

Ns00061407

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

C1CNCCC1(CCC2=CC=CC=C2)O

InChI

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

InChIKey

XQJNVXPQSPYTAT-UHFFFAOYSA-N

Compound name

4-(2-phenylethyl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 205.14667 Da
Monoisotopic Mass: 1.8
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	149.3
[M+Na]+	228.135888	153.3
[M-H]-	204.139394	150.8
[M+NH4]+	223.180493	166.9
[M+K]+	244.109828	149.1
[M+H-H2O]+	188.143930	142.1
[M+HCOO]-	250.144871	165.6
[M+CH3COO]-	264.160521	179.1
[M+Na-2H]-	226.121336	154.9
[M]+	205.14612142	142.2
[M]-	205.14721858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe