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
7
Annotation Hits

660
References

15738
Patents

311.2249 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 178.0
[M+Na]+ 334.21412 187.5
[M+NH4]+ 329.25872 187.2
[M+K]+ 350.18806 183.4
[M-H]- 310.21762 181.8
[M+Na-2H]- 332.19957 182.4
[M]+ 311.22435 180.3
[M]- 311.22545 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe