CID 7015616

Tert-butyl (3r)-3-phenylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCN[C@@H](C1)C2=CC=CC=C2
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-13(11-17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3/t13-/m0/s1
InChIKey
HRRFJZULVYGVNJ-ZDUSSCGKSA-N
Compound name
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

262.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 164.6
[M+Na]+ 285.15734 168.7
[M-H]- 261.16084 166.2
[M+NH4]+ 280.20194 177.5
[M+K]+ 301.13128 165.5
[M+H-H2O]+ 245.16538 156.2
[M+HCOO]- 307.16632 178.2
[M+CH3COO]- 321.18197 192.5
[M+Na-2H]- 283.14279 167.6
[M]+ 262.16757 160.1
[M]- 262.16867 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe