CID 3050427

Pribecaine

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

COC1=CC=CC(=C1)C(=O)OCCCN2CCCCC2

InChI

InChI=1S/C16H23NO3/c1-19-15-8-5-7-14(13-15)16(18)20-12-6-11-17-9-3-2-4-10-17/h5,7-8,13H,2-4,6,9-12H2,1H3

InChIKey

MDEHCYRQFACAGY-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylpropyl 3-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 32
Patents: 277.1678 Da
Monoisotopic Mass: 3.0
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]+	278.175076	166.5
[M+Na]+	300.157018	169.9
[M-H]-	276.160524	170.3
[M+NH4]+	295.201623	180.6
[M+K]+	316.130958	167.6
[M+H-H2O]+	260.165060	157.5
[M+HCOO]-	322.166001	184.4
[M+CH3COO]-	336.181651	198.2
[M+Na-2H]-	298.142466	168.6
[M]+	277.16725142	165.7
[M]-	277.16834858	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe