CID 64562

Piperazine, 4-(1-adamantylmethyl)-1-cyclooctyl-

Structural Information

Molecular Formula
C23H40N2
SMILES
C1CCCC(CCC1)N2CCN(CC2)CC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C23H40N2/c1-2-4-6-22(7-5-3-1)25-10-8-24(9-11-25)18-23-15-19-12-20(16-23)14-21(13-19)17-23/h19-22H,1-18H2
InChIKey
KHUSQSXJKGFLFB-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-4-cyclooctylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.31915 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.32643 195.1
[M+Na]+ 367.30837 194.0
[M-H]- 343.31187 192.8
[M+NH4]+ 362.35297 201.7
[M+K]+ 383.28231 191.9
[M+H-H2O]+ 327.31641 187.2
[M+HCOO]- 389.31735 192.1
[M+CH3COO]- 403.33300 193.8
[M+Na-2H]- 365.29382 191.0
[M]+ 344.31860 189.2
[M]- 344.31970 189.2
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.