CID 643495

1-cbz-piperazine

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

C1CN(CCN1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2

InChIKey

CTOUWUYDDUSBQE-UHFFFAOYSA-N

Compound name

benzyl piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4435
Patents: 220.12119 Da
Monoisotopic Mass: 1.0
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]+	221.12847	151.5
[M+Na]+	243.11041	162.9
[M+NH4]+	238.15501	158.8
[M+K]+	259.08435	156.7
[M-H]-	219.11391	153.4
[M+Na-2H]-	241.09586	158.1
[M]+	220.12064	153.4
[M]-	220.12174	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe