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

16195
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 178.4
[M+Na]+ 334.21412 180.4
[M-H]- 310.21762 183.2
[M+NH4]+ 329.25872 195.3
[M+K]+ 350.18806 175.0
[M+H-H2O]+ 294.22216 170.7
[M+HCOO]- 356.22310 191.5
[M+CH3COO]- 370.23875 186.8
[M+Na-2H]- 332.19957 177.9
[M]+ 311.22435 172.5
[M]- 311.22545 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.