CID 467466

Chembl291709

Structural Information

Molecular Formula
C19H34N2
SMILES
CN(C)CCN1CCCCC1C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H34N2/c1-20(2)7-8-21-6-4-3-5-18(21)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-18H,3-14H2,1-2H3
InChIKey
NRIOVZJVNJZGMN-UHFFFAOYSA-N
Compound name
2-[2-(1-adamantyl)piperidin-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.2722 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.27948 171.1
[M+Na]+ 313.26142 168.6
[M-H]- 289.26492 167.2
[M+NH4]+ 308.30602 191.8
[M+K]+ 329.23536 165.1
[M+H-H2O]+ 273.26946 161.0
[M+HCOO]- 335.27040 173.2
[M+CH3COO]- 349.28605 176.4
[M+Na-2H]- 311.24687 176.7
[M]+ 290.27165 166.7
[M]- 290.27275 166.7
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.