CID 72209357

2-(4-tert-butyl-phenyl)-piperazine

Structural Information

Molecular Formula
C14H22N2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2CNCCN2
InChI
InChI=1S/C14H22N2/c1-14(2,3)12-6-4-11(5-7-12)13-10-15-8-9-16-13/h4-7,13,15-16H,8-10H2,1-3H3
InChIKey
ZJKUJEHMACJCJM-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.1783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 155.3
[M+Na]+ 241.16752 159.5
[M-H]- 217.17102 155.5
[M+NH4]+ 236.21212 169.5
[M+K]+ 257.14146 154.5
[M+H-H2O]+ 201.17556 147.5
[M+HCOO]- 263.17650 168.1
[M+CH3COO]- 277.19215 184.1
[M+Na-2H]- 239.15297 159.4
[M]+ 218.17775 147.2
[M]- 218.17885 147.2
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