CID 64326

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

Structural Information

Molecular Formula
C20H34N2
SMILES
C1CCC(CC1)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C20H34N2/c1-2-4-19(5-3-1)21-6-8-22(9-7-21)20-13-16-10-17(14-20)12-18(11-16)15-20/h16-19H,1-15H2
InChIKey
RGBFKNNWQTYNQA-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-cyclohexylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2722 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.27948 169.7
[M+Na]+ 325.26142 165.8
[M-H]- 301.26492 165.3
[M+NH4]+ 320.30602 187.2
[M+K]+ 341.23536 160.5
[M+H-H2O]+ 285.26946 156.5
[M+HCOO]- 347.27040 166.1
[M+CH3COO]- 361.28605 173.1
[M+Na-2H]- 323.24687 173.7
[M]+ 302.27165 158.9
[M]- 302.27275 158.9
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.