CID 2846697

Cambridge id 5465324

Structural Information

Molecular Formula
C21H30N2
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C21H30N2/c1-2-4-16(5-3-1)15-22-6-8-23(9-7-22)21-19-11-17-10-18(13-19)14-20(21)12-17/h1-5,17-21H,6-15H2
InChIKey
LBIBXCFEBJFHHW-UHFFFAOYSA-N
Compound name
1-(2-adamantyl)-4-benzylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

310.2409 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 170.1
[M+Na]+ 333.23012 168.3
[M-H]- 309.23362 167.0
[M+NH4]+ 328.27472 186.0
[M+K]+ 349.20406 162.5
[M+H-H2O]+ 293.23816 158.0
[M+HCOO]- 355.23910 170.5
[M+CH3COO]- 369.25475 174.8
[M+Na-2H]- 331.21557 175.7
[M]+ 310.24035 164.0
[M]- 310.24145 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe