CID 70864

Propipocaine

Structural Information

Molecular Formula

C₁₇H₂₅NO₂

SMILES

CCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2

InChI

InChI=1S/C17H25NO2/c1-2-14-20-16-8-6-15(7-9-16)17(19)10-13-18-11-4-3-5-12-18/h6-9H,2-5,10-14H2,1H3

InChIKey

STHAHFPLLHRRRO-UHFFFAOYSA-N

Compound name

3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 38
References: 2571
Patents: 275.18854 Da
Monoisotopic Mass: 3.3
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]+	276.195816	167.9
[M+Na]+	298.177758	170.8
[M-H]-	274.181264	171.4
[M+NH4]+	293.222363	182.0
[M+K]+	314.151698	167.6
[M+H-H2O]+	258.185800	158.8
[M+HCOO]-	320.186741	185.1
[M+CH3COO]-	334.202391	199.8
[M+Na-2H]-	296.163206	169.3
[M]+	275.18799142	166.0
[M]-	275.18908858	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe