CID 40419

Adamantane, 1-(2-(4-methylpiperazinyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H30N2
SMILES
CN1CCN(CC1)CCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H30N2/c1-18-4-6-19(7-5-18)3-2-17-11-14-8-15(12-17)10-16(9-14)13-17/h14-16H,2-13H2,1H3
InChIKey
XZJFJZSIKDSMFQ-UHFFFAOYSA-N
Compound name
1-[2-(1-adamantyl)ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2409 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.24818 164.7
[M+Na]+ 285.23012 163.9
[M-H]- 261.23362 158.8
[M+NH4]+ 280.27472 185.0
[M+K]+ 301.20406 159.5
[M+H-H2O]+ 245.23816 154.0
[M+HCOO]- 307.23910 165.0
[M+CH3COO]- 321.25475 170.1
[M+Na-2H]- 283.21557 171.3
[M]+ 262.24035 159.9
[M]- 262.24145 159.9
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.