CID 4919

Procyclidine

Structural Information

Molecular Formula

C₁₉H₂₉NO

SMILES

C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2

InChIKey

WYDUSKDSKCASEF-UHFFFAOYSA-N

Compound name

1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 312
References: 8283
Patents: 287.2249 Da
Monoisotopic Mass: 4.1
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]+	288.232176	172.4
[M+Na]+	310.214118	172.7
[M-H]-	286.217624	177.0
[M+NH4]+	305.258723	186.5
[M+K]+	326.188058	168.2
[M+H-H2O]+	270.222160	163.5
[M+HCOO]-	332.223101	185.8
[M+CH3COO]-	346.238751	197.0
[M+Na-2H]-	308.199566	172.7
[M]+	287.22435142	163.7
[M]-	287.22544858	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe