CID 3716210

1-(1-adamantylmethyl)piperazine

Structural Information

Molecular Formula
C15H26N2
SMILES
C1CN(CCN1)CC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C15H26N2/c1-3-17(4-2-16-1)11-15-8-12-5-13(9-15)7-14(6-12)10-15/h12-14,16H,1-11H2
InChIKey
KSLFCNYWGLDEGU-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

234.2096 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.21688 154.8
[M+Na]+ 257.19882 153.8
[M-H]- 233.20232 147.8
[M+NH4]+ 252.24342 175.4
[M+K]+ 273.17276 149.0
[M+H-H2O]+ 217.20686 144.8
[M+HCOO]- 279.20780 154.6
[M+CH3COO]- 293.22345 160.3
[M+Na-2H]- 255.18427 163.0
[M]+ 234.20905 147.6
[M]- 234.21015 147.6
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