CID 64438

Piperazine, 1-(1-adamantyl)-4-butyl-, dihydrochloride

Structural Information

Molecular Formula
C18H32N2
SMILES
CCCCN1CCN(CC1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H32N2/c1-2-3-4-19-5-7-20(8-6-19)18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17H,2-14H2,1H3
InChIKey
XMVLIBXUAORVJT-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-butylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.25656 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.26384 169.1
[M+Na]+ 299.24578 167.9
[M-H]- 275.24928 162.9
[M+NH4]+ 294.29038 188.8
[M+K]+ 315.21972 163.2
[M+H-H2O]+ 259.25382 158.2
[M+HCOO]- 321.25476 169.0
[M+CH3COO]- 335.27041 174.1
[M+Na-2H]- 297.23123 175.2
[M]+ 276.25601 164.5
[M]- 276.25711 164.5
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.