CID 10866890

2-phenylpiperidin-4-ol

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CN[C@@H](C[C@@H]1O)C2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11+/m1/s1

InChIKey

PGLMKGJYYTZRJY-MNOVXSKESA-N

Compound name

(2S,4R)-2-phenylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 177.11537 Da
Monoisotopic Mass: 1.2
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]+	178.122646	139.5
[M+Na]+	200.104588	144.4
[M-H]-	176.108094	141.3
[M+NH4]+	195.149193	156.5
[M+K]+	216.078528	140.4
[M+H-H2O]+	160.112630	132.4
[M+HCOO]-	222.113571	156.5
[M+CH3COO]-	236.129221	150.5
[M+Na-2H]-	198.090036	144.6
[M]+	177.11482142	131.8
[M]-	177.11591858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe