CID 64328

Piperazine, 1-(1-adamantyl)-4-ethyl-, dihydrochloride

Structural Information

Molecular Formula
C16H28N2
SMILES
CCN1CCN(CC1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H28N2/c1-2-17-3-5-18(6-4-17)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,2-12H2,1H3
InChIKey
UJSFBMSLCGJUCM-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-ethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.22525 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.23253 160.3
[M+Na]+ 271.21447 160.0
[M-H]- 247.21797 154.6
[M+NH4]+ 266.25907 181.2
[M+K]+ 287.18841 155.8
[M+H-H2O]+ 231.22251 149.8
[M+HCOO]- 293.22345 161.0
[M+CH3COO]- 307.23910 166.2
[M+Na-2H]- 269.19992 167.5
[M]+ 248.22470 155.2
[M]- 248.22580 155.2
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.