CID 1514401

1-(2-n-boc-aminoethyl)piperazine

Structural Information

Molecular Formula

C₁₁H₂₃N₃O₂

SMILES

CC(C)(C)OC(=O)NCCN1CCNCC1

InChI

InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)13-6-9-14-7-4-12-5-8-14/h12H,4-9H2,1-3H3,(H,13,15)

InChIKey

VPOIPCJBJNWHSJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-piperazin-1-ylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 431
Patents: 229.17903 Da
Monoisotopic Mass: 0.3
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]+	230.18631	155.9
[M+Na]+	252.16825	162.8
[M+NH4]+	247.21285	161.2
[M+K]+	268.14219	159.1
[M-H]-	228.17175	154.4
[M+Na-2H]-	250.15370	158.1
[M]+	229.17848	155.9
[M]-	229.17958	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe