CID 17750129

Tert-butyl (2r)-2-phenylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC[C@H]1C2=CC=CC=C2
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-11-13(17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3/t13-/m0/s1
InChIKey
DVOURBIBCQYVCC-ZDUSSCGKSA-N
Compound name
tert-butyl (2R)-2-phenylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

262.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 164.6
[M+Na]+ 285.157338 168.7
[M-H]- 261.160844 166.2
[M+NH4]+ 280.201943 177.5
[M+K]+ 301.131278 165.5
[M+H-H2O]+ 245.165380 156.2
[M+HCOO]- 307.166321 178.2
[M+CH3COO]- 321.181971 192.5
[M+Na-2H]- 283.142786 167.6
[M]+ 262.16757142 160.1
[M]- 262.16866858 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

No literature data available for this compound.

Patent stripe

patents stripe