CID 781722

1-(4-tert-butylphenyl)piperazine

Structural Information

Molecular Formula
C14H22N2
SMILES
CC(C)(C)C1=CC=C(C=C1)N2CCNCC2
InChI
InChI=1S/C14H22N2/c1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h4-7,15H,8-11H2,1-3H3
InChIKey
ORDMNUOREWSOKN-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

217
Patents

218.1783 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.185576 154.7
[M+Na]+ 241.167518 159.4
[M-H]- 217.171024 156.3
[M+NH4]+ 236.212123 169.7
[M+K]+ 257.141458 155.3
[M+H-H2O]+ 201.175560 146.6
[M+HCOO]- 263.176501 169.0
[M+CH3COO]- 277.192151 186.6
[M+Na-2H]- 239.152966 159.3
[M]+ 218.17775142 148.5
[M]- 218.17884858 148.5
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