CID 2756816

Methyl 4-boc-piperazine-2-acetate

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCNC(C1)CC(=O)OC

InChI

InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13-9(8-14)7-10(15)17-4/h9,13H,5-8H2,1-4H3

InChIKey

VLMVFRLASKOYKX-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 208
Patents: 258.15796 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]+	259.165236	161.9
[M+Na]+	281.147178	166.0
[M-H]-	257.150684	160.4
[M+NH4]+	276.191783	175.4
[M+K]+	297.121118	165.4
[M+H-H2O]+	241.155220	155.0
[M+HCOO]-	303.156161	174.8
[M+CH3COO]-	317.171811	191.3
[M+Na-2H]-	279.132626	163.1
[M]+	258.15741142	160.5
[M]-	258.15850858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe