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
1
Annotation Hits

0
References

230
Patents

218.1783 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 154.7
[M+Na]+ 241.16752 159.4
[M-H]- 217.17102 156.3
[M+NH4]+ 236.21212 169.7
[M+K]+ 257.14146 155.3
[M+H-H2O]+ 201.17556 146.6
[M+HCOO]- 263.17650 169.0
[M+CH3COO]- 277.19215 186.6
[M+Na-2H]- 239.15297 159.3
[M]+ 218.17775 148.5
[M]- 218.17885 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