CID 64440

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

Structural Information

Molecular Formula
C18H32N2
SMILES
CC(C)CN1CCN(CC1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H32N2/c1-14(2)13-19-3-5-20(6-4-19)18-10-15-7-16(11-18)9-17(8-15)12-18/h14-17H,3-13H2,1-2H3
InChIKey
BRCGLFQITQNRAM-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-(2-methylpropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.25656 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.26384 170.1
[M+Na]+ 299.24578 168.5
[M-H]- 275.24928 163.9
[M+NH4]+ 294.29038 189.7
[M+K]+ 315.21972 164.3
[M+H-H2O]+ 259.25382 159.5
[M+HCOO]- 321.25476 168.9
[M+CH3COO]- 335.27041 174.8
[M+Na-2H]- 297.23123 175.0
[M]+ 276.25601 164.9
[M]- 276.25711 164.9
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.