CID 64565

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

Structural Information

Molecular Formula
C19H34N2
SMILES
CC(C)CN1CCN(CC1)CC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H34N2/c1-15(2)13-20-3-5-21(6-4-20)14-19-10-16-7-17(11-19)9-18(8-16)12-19/h15-18H,3-14H2,1-2H3
InChIKey
LULBJLGZVFPNMI-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-4-(2-methylpropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2722 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.27948 174.5
[M+Na]+ 313.26142 172.4
[M-H]- 289.26492 168.0
[M+NH4]+ 308.30602 193.5
[M+K]+ 329.23536 168.0
[M+H-H2O]+ 273.26946 163.7
[M+HCOO]- 335.27040 172.9
[M+CH3COO]- 349.28605 178.8
[M+Na-2H]- 311.24687 178.9
[M]+ 290.27165 169.5
[M]- 290.27275 169.5
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.