CID 64568

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

Structural Information

Molecular Formula
C16H28N2
SMILES
CN1CCN(CC1)CC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H28N2/c1-17-2-4-18(5-3-17)12-16-9-13-6-14(10-16)8-15(7-13)11-16/h13-15H,2-12H2,1H3
InChIKey
UJBYPLKQOOHPLA-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.22525 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.23253 164.6
[M+Na]+ 271.21447 174.3
[M+NH4]+ 266.25907 177.7
[M+K]+ 287.18841 163.4
[M-H]- 247.21797 164.4
[M+Na-2H]- 269.19992 162.1
[M]+ 248.22470 166.0
[M]- 248.22580 166.0
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.