CID 3047130

62936-27-0

Structural Information

Molecular Formula
C22H38N2
SMILES
C1CCCC(CCC1)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C22H38N2/c1-2-4-6-21(7-5-3-1)23-8-10-24(11-9-23)22-15-18-12-19(16-22)14-20(13-18)17-22/h18-21H,1-17H2
InChIKey
YOKPTIGJCFIWSW-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-cyclooctylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.3035 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.310776 193.0
[M+Na]+ 353.292718 192.1
[M-H]- 329.296224 190.9
[M+NH4]+ 348.337323 199.9
[M+K]+ 369.266658 190.1
[M+H-H2O]+ 313.300760 185.2
[M+HCOO]- 375.301701 190.2
[M+CH3COO]- 389.317351 192.0
[M+Na-2H]- 351.278166 189.2
[M]+ 330.30295142 187.0
[M]- 330.30404858 187.0
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.