CID 101021

(s)-3-phenylpiperidine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1C[C@H](CNC1)C2=CC=CC=C2

InChI

InChI=1S/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2/t11-/m1/s1

InChIKey

NZYBILDYPCVNMU-LLVKDONJSA-N

Compound name

(3S)-3-phenylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1250
Patents: 161.12045 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]+	162.12773	135.6
[M+Na]+	184.10967	140.0
[M-H]-	160.11317	138.5
[M+NH4]+	179.15427	153.7
[M+K]+	200.08361	136.4
[M+H-H2O]+	144.11771	128.2
[M+HCOO]-	206.11865	153.9
[M+CH3COO]-	220.13430	147.1
[M+Na-2H]-	182.09512	141.9
[M]+	161.11990	128.0
[M]-	161.12100	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe