CID 35373

1-(1-adamantyl)piperazine

Structural Information

Molecular Formula
C14H24N2
SMILES
C1CN(CCN1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C14H24N2/c1-3-16(4-2-15-1)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,1-10H2
InChIKey
DXYGTOJPNHDXRM-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

76
Patents

220.19395 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.201226 150.4
[M+Na]+ 243.183168 149.9
[M-H]- 219.186674 143.6
[M+NH4]+ 238.227773 171.6
[M+K]+ 259.157108 145.4
[M+H-H2O]+ 203.191210 140.6
[M+HCOO]- 265.192151 150.6
[M+CH3COO]- 279.207801 156.4
[M+Na-2H]- 241.168616 159.2
[M]+ 220.19340142 143.0
[M]- 220.19449858 143.0
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