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

1
Annotation Hits: 38
References: 2488
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]+	276.19582	168.4
[M+Na]+	298.17776	179.9
[M+NH4]+	293.22236	176.0
[M+K]+	314.15170	172.2
[M-H]-	274.18126	171.6
[M+Na-2H]-	296.16321	174.6
[M]+	275.18799	170.8
[M]-	275.18909	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe