CID 10782

Piperocaine

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CC1CCCCN1CCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3

InChIKey

YQKAVWCGQQXBGW-UHFFFAOYSA-N

Compound name

3-(2-methylpiperidin-1-yl)propyl benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 7420
Patents: 261.17288 Da
Monoisotopic Mass: 3.4
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]+	262.18016	163.6
[M+Na]+	284.16210	167.1
[M-H]-	260.16560	167.4
[M+NH4]+	279.20670	178.4
[M+K]+	300.13604	164.2
[M+H-H2O]+	244.17014	154.8
[M+HCOO]-	306.17108	181.3
[M+CH3COO]-	320.18673	196.2
[M+Na-2H]-	282.14755	165.6
[M]+	261.17233	161.3
[M]-	261.17343	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe