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]+ 262.25292 163.8
[M+Na]+ 284.23486 161.7
[M-H]- 260.23836 158.8
[M+NH4]+ 279.27946 185.1
[M+K]+ 300.20880 156.9
[M+H-H2O]+ 244.24290 153.7
[M+HCOO]- 306.24384 165.1
[M+CH3COO]- 320.25949 169.2
[M+Na-2H]- 282.22031 170.5
[M]+ 261.24509 158.3
[M]- 261.24619 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.