CID 467464

2-(1-adamantyl)-1-(cyclopropylmethyl)piperidine

Structural Information

Molecular Formula
C19H31N
SMILES
C1CCN(C(C1)C23CC4CC(C2)CC(C4)C3)CC5CC5
InChI
InChI=1S/C19H31N/c1-2-6-20(13-14-4-5-14)18(3-1)19-10-15-7-16(11-19)9-17(8-15)12-19/h14-18H,1-13H2
InChIKey
GGLUSSBCBSGZEQ-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-1-(cyclopropylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.24564 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.25292 165.7
[M+Na]+ 296.23486 166.4
[M-H]- 272.23836 164.4
[M+NH4]+ 291.27946 181.6
[M+K]+ 312.20880 161.3
[M+H-H2O]+ 256.24290 155.0
[M+HCOO]- 318.24384 166.3
[M+CH3COO]- 332.25949 171.2
[M+Na-2H]- 294.22031 171.1
[M]+ 273.24509 161.9
[M]- 273.24619 161.9
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.