CID 3012267

Chembl67995

Structural Information

Molecular Formula
C21H36N2
SMILES
C1CCN(CC1)CCN2CCC(C2)C3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C21H36N2/c1-2-5-22(6-3-1)8-9-23-7-4-18(15-23)21-19-11-16-10-17(13-19)14-20(21)12-16/h16-21H,1-15H2
InChIKey
WIAFWMYRVLCIJY-UHFFFAOYSA-N
Compound name
1-[2-[3-(2-adamantyl)pyrrolidin-1-yl]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.28784 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.29512 172.8
[M+Na]+ 339.27706 169.2
[M-H]- 315.28056 168.9
[M+NH4]+ 334.32166 190.3
[M+K]+ 355.25100 163.6
[M+H-H2O]+ 299.28510 162.0
[M+HCOO]- 361.28604 171.3
[M+CH3COO]- 375.30169 176.8
[M+Na-2H]- 337.26251 173.1
[M]+ 316.28729 164.8
[M]- 316.28839 164.8
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

No patent data available for this compound.