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

27
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.