CID 64488

Phenyladamantylpiperidine

Structural Information

Molecular Formula
C21H29N
SMILES
C1CCN(CC1)C2(C3CC4CC(C3)CC2C4)C5=CC=CC=C5
InChI
InChI=1S/C21H29N/c1-3-7-18(8-4-1)21(22-9-5-2-6-10-22)19-12-16-11-17(14-19)15-20(21)13-16/h1,3-4,7-8,16-17,19-20H,2,5-6,9-15H2
InChIKey
KBLCCZWZKWPYJM-UHFFFAOYSA-N
Compound name
1-(2-phenyl-2-adamantyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.23 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.23728 167.1
[M+Na]+ 318.21922 165.8
[M-H]- 294.22272 165.5
[M+NH4]+ 313.26382 186.7
[M+K]+ 334.19316 159.9
[M+H-H2O]+ 278.22726 155.0
[M+HCOO]- 340.22820 168.8
[M+CH3COO]- 354.24385 172.6
[M+Na-2H]- 316.20467 173.9
[M]+ 295.22945 160.3
[M]- 295.23055 160.3
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.