CID 70701068

Tert-butyl 3-(2-chlorophenyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-6-4-5-7-12(11)16/h4-7,13,17H,8-10H2,1-3H3
InChIKey
CUYSHPOIPCNCLY-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-chlorophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

296.12915 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13643 169.9
[M+Na]+ 319.11837 175.7
[M-H]- 295.12187 171.8
[M+NH4]+ 314.16297 182.7
[M+K]+ 335.09231 170.8
[M+H-H2O]+ 279.12641 162.2
[M+HCOO]- 341.12735 178.9
[M+CH3COO]- 355.14300 197.4
[M+Na-2H]- 317.10382 171.8
[M]+ 296.12860 167.9
[M]- 296.12970 167.9
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

patents stripe