CID 2381

Biperiden

Structural Information

Molecular Formula

C₂₁H₂₉NO

SMILES

C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2

InChIKey

YSXKPIUOCJLQIE-UHFFFAOYSA-N

Compound name

1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 662
References: 16294
Patents: 311.2249 Da
Monoisotopic Mass: 4.3
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]+	312.232176	178.4
[M+Na]+	334.214118	180.4
[M-H]-	310.217624	183.2
[M+NH4]+	329.258723	195.3
[M+K]+	350.188058	175.0
[M+H-H2O]+	294.222160	170.7
[M+HCOO]-	356.223101	191.5
[M+CH3COO]-	370.238751	186.8
[M+Na-2H]-	332.199566	177.9
[M]+	311.22435142	172.5
[M]-	311.22544858	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe