CID 72210139

886767-01-7

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2CN(CCN2)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H30N2O2/c1-18(2,3)15-9-7-14(8-10-15)16-13-21(12-11-20-16)17(22)23-19(4,5)6/h7-10,16,20H,11-13H2,1-6H3
InChIKey
YIWWHBLNPHYESE-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-tert-butylphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 181.4
[M+Na]+ 341.219958 185.2
[M-H]- 317.223464 183.1
[M+NH4]+ 336.264563 192.6
[M+K]+ 357.193898 181.8
[M+H-H2O]+ 301.228000 173.4
[M+HCOO]- 363.228941 192.1
[M+CH3COO]- 377.244591 205.5
[M+Na-2H]- 339.205406 182.8
[M]+ 318.23019142 178.2
[M]- 318.23128858 178.2
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

No patent data available for this compound.