CID 40429

52582-82-8

Structural Information

Molecular Formula
C18H31N
SMILES
C1CCN(CC1)CCCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H31N/c1-2-6-19(7-3-1)8-4-5-18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17H,1-14H2
InChIKey
KVJUENGTIAGHEA-UHFFFAOYSA-N
Compound name
1-[3-(1-adamantyl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.24564 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.252916 163.8
[M+Na]+ 284.234858 161.7
[M-H]- 260.238364 158.8
[M+NH4]+ 279.279463 185.1
[M+K]+ 300.208798 156.9
[M+H-H2O]+ 244.242900 153.7
[M+HCOO]- 306.243841 165.1
[M+CH3COO]- 320.259491 169.2
[M+Na-2H]- 282.220306 170.5
[M]+ 261.24509142 158.3
[M]- 261.24618858 158.3
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.