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

217
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

literature stripe

Patent stripe

patents stripe