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 181.4
[M+Na]+ 341.21996 185.2
[M-H]- 317.22346 183.1
[M+NH4]+ 336.26456 192.6
[M+K]+ 357.19390 181.8
[M+H-H2O]+ 301.22800 173.4
[M+HCOO]- 363.22894 192.1
[M+CH3COO]- 377.24459 205.5
[M+Na-2H]- 339.20541 182.8
[M]+ 318.23019 178.2
[M]- 318.23129 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.