CID 2735657

1-(4-tert-butylbenzyl)piperazine

Structural Information

Molecular Formula
C15H24N2
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2CCNCC2
InChI
InChI=1S/C15H24N2/c1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17/h4-7,16H,8-12H2,1-3H3
InChIKey
UQLCETYSARZZSR-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

232.19395 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20123 159.2
[M+Na]+ 255.18317 163.4
[M-H]- 231.18667 160.6
[M+NH4]+ 250.22777 173.6
[M+K]+ 271.15711 159.1
[M+H-H2O]+ 215.19121 150.9
[M+HCOO]- 277.19215 173.2
[M+CH3COO]- 291.20780 189.6
[M+Na-2H]- 253.16862 163.2
[M]+ 232.19340 153.3
[M]- 232.19450 153.3
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

No patent data available for this compound.