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]+ 303.279476 169.7
[M+Na]+ 325.261418 165.8
[M-H]- 301.264924 165.3
[M+NH4]+ 320.306023 187.2
[M+K]+ 341.235358 160.5
[M+H-H2O]+ 285.269460 156.5
[M+HCOO]- 347.270401 166.1
[M+CH3COO]- 361.286051 173.1
[M+Na-2H]- 323.246866 173.7
[M]+ 302.27165142 158.9
[M]- 302.27274858 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.