CID 417384

4-methoxy-4-phenylpiperidin-1-ium;chloride

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

COC1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C12H17NO/c1-14-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3

InChIKey

ZKISCCNMDWZDCF-UHFFFAOYSA-N

Compound name

4-methoxy-4-phenylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 191.13101 Da
Monoisotopic Mass: 1.5
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]+	192.138286	144.3
[M+Na]+	214.120228	149.2
[M-H]-	190.123734	147.4
[M+NH4]+	209.164833	163.2
[M+K]+	230.094168	146.2
[M+H-H2O]+	174.128270	136.9
[M+HCOO]-	236.129211	162.5
[M+CH3COO]-	250.144861	178.6
[M+Na-2H]-	212.105676	150.9
[M]+	191.13046142	138.7
[M]-	191.13155858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe