CID 218207

4-piperidinol, 1-methyl-, benzoate, hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CN1CCC(CC1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO2/c1-14-9-7-12(8-10-14)16-13(15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3

InChIKey

ITBIONVQXMUSAI-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-4-yl) benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 7
Patents: 219.12593 Da
Monoisotopic Mass: 2.4
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]+	220.13321	150.6
[M+Na]+	242.11515	163.0
[M+NH4]+	237.15975	159.0
[M+K]+	258.08909	156.2
[M-H]-	218.11865	154.0
[M+Na-2H]-	240.10060	157.9
[M]+	219.12538	153.2
[M]-	219.12648	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe