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]+ 319.23802 180.3
[M+Na]+ 341.21996 190.2
[M+NH4]+ 336.26456 185.9
[M+K]+ 357.19390 185.6
[M-H]- 317.22346 180.8
[M+Na-2H]- 339.20541 184.7
[M]+ 318.23019 181.8
[M]- 318.23129 181.8
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.