CID 64332

Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride

Structural Information

Molecular Formula
C18H32N2
SMILES
CC(C)(C)N1CCN(CC1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H32N2/c1-17(2,3)19-4-6-20(7-5-19)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,4-13H2,1-3H3
InChIKey
NWVJZFXUAVYJEF-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-tert-butylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.25656 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.26384 173.5
[M+Na]+ 299.24578 172.8
[M-H]- 275.24928 167.6
[M+NH4]+ 294.29038 193.4
[M+K]+ 315.21972 168.6
[M+H-H2O]+ 259.25382 163.6
[M+HCOO]- 321.25476 171.8
[M+CH3COO]- 335.27041 178.5
[M+Na-2H]- 297.23123 180.3
[M]+ 276.25601 168.6
[M]- 276.25711 168.6
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

patents stripe