CID 2757326

Tert-butyl 2-piperazinoacetate

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)CN1CCNCC1

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3

InChIKey

JOJBGPBSHQZRDA-UHFFFAOYSA-N

Compound name

tert-butyl 2-piperazin-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 531
Patents: 200.15248 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]+	201.15976	149.6
[M+Na]+	223.14170	153.6
[M-H]-	199.14520	147.9
[M+NH4]+	218.18630	165.2
[M+K]+	239.11564	152.4
[M+H-H2O]+	183.14974	142.7
[M+HCOO]-	245.15068	163.4
[M+CH3COO]-	259.16633	181.2
[M+Na-2H]-	221.12715	153.3
[M]+	200.15193	145.6
[M]-	200.15303	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe