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]+ 303.279476 169.3
[M+Na]+ 325.261418 166.6
[M-H]- 301.264924 165.6
[M+NH4]+ 320.306023 189.1
[M+K]+ 341.235358 161.0
[M+H-H2O]+ 285.269460 157.6
[M+HCOO]- 347.270401 168.2
[M+CH3COO]- 361.286051 173.8
[M+Na-2H]- 323.246866 171.3
[M]+ 302.27165142 160.9
[M]- 302.27274858 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.