CID 64561

N'-(1-adamantylmethyl)-n-cyclohexylpiperazine

Structural Information

Molecular Formula
C21H36N2
SMILES
C1CCC(CC1)N2CCN(CC2)CC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C21H36N2/c1-2-4-20(5-3-1)23-8-6-22(7-9-23)16-21-13-17-10-18(14-21)12-19(11-17)15-21/h17-20H,1-16H2
InChIKey
RFZNGTUUSVGGJU-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-4-cyclohexylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.28784 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.29512 173.9
[M+Na]+ 339.27706 169.5
[M-H]- 315.28056 169.3
[M+NH4]+ 334.32166 190.9
[M+K]+ 355.25100 164.0
[M+H-H2O]+ 299.28510 160.5
[M+HCOO]- 361.28604 170.0
[M+CH3COO]- 375.30169 176.9
[M+Na-2H]- 337.26251 177.4
[M]+ 316.28729 163.3
[M]- 316.28839 163.3
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.