CID 44558596

1-boc-3-isopropylpiperazine

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(C)C1CN(CCN1)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H24N2O2/c1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3

InChIKey

UHLAQCKNCBYTIF-UHFFFAOYSA-N

Compound name

tert-butyl 3-propan-2-ylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 157
Patents: 228.18378 Da
Monoisotopic Mass: 1.9
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]+	229.19106	156.5
[M+Na]+	251.17300	164.5
[M+NH4]+	246.21760	162.1
[M+K]+	267.14694	161.2
[M-H]-	227.17650	154.7
[M+Na-2H]-	249.15845	158.2
[M]+	228.18323	156.7
[M]-	228.18433	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe