CID 70701067

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

296.12915 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.136426 169.9
[M+Na]+ 319.118368 175.7
[M-H]- 295.121874 171.8
[M+NH4]+ 314.162973 182.7
[M+K]+ 335.092308 170.8
[M+H-H2O]+ 279.126410 162.2
[M+HCOO]- 341.127351 178.9
[M+CH3COO]- 355.143001 197.4
[M+Na-2H]- 317.103816 171.8
[M]+ 296.12860142 167.9
[M]- 296.12969858 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