CID 20294518

Tert-butyl 4-hydroxypiperazine-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)10-4-6-11(13)7-5-10/h13H,4-7H2,1-3H3

InChIKey

AKNZCOOSUBRREY-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxypiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 202.13174 Da
Monoisotopic Mass: 0.4
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]+	203.139016	147.7
[M+Na]+	225.120958	153.1
[M-H]-	201.124464	146.6
[M+NH4]+	220.165563	163.6
[M+K]+	241.094898	152.7
[M+H-H2O]+	185.129000	141.2
[M+HCOO]-	247.129941	162.1
[M+CH3COO]-	261.145591	180.8
[M+Na-2H]-	223.106406	151.3
[M]+	202.13119142	145.1
[M]-	202.13228858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe