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]+ 331.31078 193.0
[M+Na]+ 353.29272 192.1
[M-H]- 329.29622 190.9
[M+NH4]+ 348.33732 199.9
[M+K]+ 369.26666 190.1
[M+H-H2O]+ 313.30076 185.2
[M+HCOO]- 375.30170 190.2
[M+CH3COO]- 389.31735 192.0
[M+Na-2H]- 351.27817 189.2
[M]+ 330.30295 187.0
[M]- 330.30405 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.