CID 64275

1-(1-adamantyl)-4-methylpiperazine

Structural Information

Molecular Formula
C15H26N2
SMILES
CN1CCN(CC1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C15H26N2/c1-16-2-4-17(5-3-16)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,2-11H2,1H3
InChIKey
WBWMJVCKJWBSAT-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

234.2096 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.21688 155.9
[M+Na]+ 257.19882 156.0
[M-H]- 233.20232 150.4
[M+NH4]+ 252.24342 177.3
[M+K]+ 273.17276 152.0
[M+H-H2O]+ 217.20686 145.6
[M+HCOO]- 279.20780 157.0
[M+CH3COO]- 293.22345 162.2
[M+Na-2H]- 255.18427 163.6
[M]+ 234.20905 150.5
[M]- 234.21015 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe