CID 21701658

Tert-butyl piperazin-1-ylcarbamate

Structural Information

Molecular Formula

C₉H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)NN1CCNCC1

InChI

InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13)

InChIKey

MHKPBRDUFKYAGW-UHFFFAOYSA-N

Compound name

tert-butyl N-piperazin-1-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 201.14772 Da
Monoisotopic Mass: 0.5
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]+	202.15500	147.2
[M+Na]+	224.13694	154.5
[M+NH4]+	219.18154	152.9
[M+K]+	240.11088	151.3
[M-H]-	200.14044	145.8
[M+Na-2H]-	222.12239	149.9
[M]+	201.14717	147.3
[M]-	201.14827	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe