CID 64569

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

Structural Information

Molecular Formula
C20H36N2
SMILES
CCCCCN1CCN(CC1)CC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H36N2/c1-2-3-4-5-21-6-8-22(9-7-21)16-20-13-17-10-18(14-20)12-19(11-17)15-20/h17-19H,2-16H2,1H3
InChIKey
PEENDAJAFQCPMI-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-4-pentylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.28784 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.29512 177.8
[M+Na]+ 327.27706 175.6
[M-H]- 303.28056 171.2
[M+NH4]+ 322.32166 196.3
[M+K]+ 343.25100 170.5
[M+H-H2O]+ 287.28510 166.5
[M+HCOO]- 349.28604 177.0
[M+CH3COO]- 363.30169 181.9
[M+Na-2H]- 325.26251 182.8
[M]+ 304.28729 173.7
[M]- 304.28839 173.7
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.