CID 64330

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

Structural Information

Molecular Formula
C17H30N2
SMILES
CC(C)N1CCN(CC1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H30N2/c1-13(2)18-3-5-19(6-4-18)17-10-14-7-15(11-17)9-16(8-14)12-17/h13-16H,3-12H2,1-2H3
InChIKey
RNAMOZMZAVKYJQ-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-propan-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2409 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.24818 165.7
[M+Na]+ 285.23012 164.5
[M-H]- 261.23362 159.7
[M+NH4]+ 280.27472 185.8
[M+K]+ 301.20406 160.5
[M+H-H2O]+ 245.23816 155.3
[M+HCOO]- 307.23910 164.9
[M+CH3COO]- 321.25475 170.9
[M+Na-2H]- 283.21557 171.1
[M]+ 262.24035 160.2
[M]- 262.24145 160.2
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.