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

1
Patents

248.22525 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.232526 160.3
[M+Na]+ 271.214468 160.0
[M-H]- 247.217974 154.6
[M+NH4]+ 266.259073 181.2
[M+K]+ 287.188408 155.8
[M+H-H2O]+ 231.222510 149.8
[M+HCOO]- 293.223451 161.0
[M+CH3COO]- 307.239101 166.2
[M+Na-2H]- 269.199916 167.5
[M]+ 248.22470142 155.2
[M]- 248.22579858 155.2
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

patents stripe