CID 64563

Piperazine, 4-(1-adamantylmethyl)-1-cyclopentyl-

Structural Information

Molecular Formula
C20H34N2
SMILES
C1CCC(C1)N2CCN(CC2)CC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C20H34N2/c1-2-4-19(3-1)22-7-5-21(6-8-22)15-20-12-16-9-17(13-20)11-18(10-16)14-20/h16-19H,1-15H2
InChIKey
PPMYVLNODLFXKI-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-4-cyclopentylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2722 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.27948 169.3
[M+Na]+ 325.26142 166.6
[M-H]- 301.26492 165.6
[M+NH4]+ 320.30602 189.1
[M+K]+ 341.23536 161.0
[M+H-H2O]+ 285.26946 157.6
[M+HCOO]- 347.27040 168.2
[M+CH3COO]- 361.28605 173.8
[M+Na-2H]- 323.24687 171.3
[M]+ 302.27165 160.9
[M]- 302.27275 160.9
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.