CID 584330

57260-70-5

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3

InChIKey

GVHSMUYEAWMYLM-UHFFFAOYSA-N

Compound name

tert-butyl 4-benzylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 194
Patents: 276.18378 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.19106	167.7
[M+Na]+	299.17300	178.8
[M+NH4]+	294.21760	174.4
[M+K]+	315.14694	173.0
[M-H]-	275.17650	169.4
[M+Na-2H]-	297.15845	173.7
[M]+	276.18323	169.6
[M]-	276.18433	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe