CID 64566

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

Structural Information

Molecular Formula
C20H36N2
SMILES
CC(C)CCN1CCN(CC1)CC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H36N2/c1-16(2)3-4-21-5-7-22(8-6-21)15-20-12-17-9-18(13-20)11-19(10-17)14-20/h16-19H,3-15H2,1-2H3
InChIKey
HYZWUCJLLLTLLC-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-4-(3-methylbutyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.28784 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.29512 178.9
[M+Na]+ 327.27706 176.3
[M-H]- 303.28056 172.2
[M+NH4]+ 322.32166 197.3
[M+K]+ 343.25100 171.7
[M+H-H2O]+ 287.28510 167.9
[M+HCOO]- 349.28604 176.9
[M+CH3COO]- 363.30169 182.7
[M+Na-2H]- 325.26251 182.7
[M]+ 304.28729 174.2
[M]- 304.28839 174.2
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.