CID 467463

Chembl55535

Structural Information

Molecular Formula
C17H29N
SMILES
CCN1CCCCC1C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H29N/c1-2-18-6-4-3-5-16(18)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-16H,2-12H2,1H3
InChIKey
JYYNECWKRWLUSV-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-1-ethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.23 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.23728 160.5
[M+Na]+ 270.21922 159.8
[M-H]- 246.22272 156.2
[M+NH4]+ 265.26382 182.8
[M+K]+ 286.19316 155.2
[M+H-H2O]+ 230.22726 150.9
[M+HCOO]- 292.22820 162.1
[M+CH3COO]- 306.24385 166.7
[M+Na-2H]- 268.20467 167.2
[M]+ 247.22945 155.1
[M]- 247.23055 155.1
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.