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]+ 219.185576 155.3
[M+Na]+ 241.167518 159.5
[M-H]- 217.171024 155.5
[M+NH4]+ 236.212123 169.5
[M+K]+ 257.141458 154.5
[M+H-H2O]+ 201.175560 147.5
[M+HCOO]- 263.176501 168.1
[M+CH3COO]- 277.192151 184.1
[M+Na-2H]- 239.152966 159.4
[M]+ 218.17775142 147.2
[M]- 218.17884858 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