CID 64560

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

Structural Information

Molecular Formula
C19H34N2
SMILES
CCCCN1CCN(CC1)CC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H34N2/c1-2-3-4-20-5-7-21(8-6-20)15-19-12-16-9-17(13-19)11-18(10-16)14-19/h16-18H,2-15H2,1H3
InChIKey
WTKPTHHELVBHTQ-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-4-butylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2722 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.27948 173.5
[M+Na]+ 313.26142 171.8
[M-H]- 289.26492 167.0
[M+NH4]+ 308.30602 192.6
[M+K]+ 329.23536 166.9
[M+H-H2O]+ 273.26946 162.3
[M+HCOO]- 335.27040 173.0
[M+CH3COO]- 349.28605 178.0
[M+Na-2H]- 311.24687 179.0
[M]+ 290.27165 169.1
[M]- 290.27275 169.1
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.