CID 130002705

1822575-15-4

Structural Information

Molecular Formula

C₇H₁₂N₂O₃

SMILES

CN1CC(NCC1=O)C(=O)OC

InChI

InChI=1S/C7H12N2O3/c1-9-4-5(7(11)12-2)8-3-6(9)10/h5,8H,3-4H2,1-2H3

InChIKey

ZEMFVTKYEXRSHW-UHFFFAOYSA-N

Compound name

methyl 4-methyl-5-oxopiperazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.0848 Da
Monoisotopic Mass: -0.9
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]+	173.09208	137.4
[M+Na]+	195.07402	147.0
[M+NH4]+	190.11862	143.3
[M+K]+	211.04796	143.4
[M-H]-	171.07752	135.9
[M+Na-2H]-	193.05947	139.9
[M]+	172.08425	137.8
[M]-	172.08535	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.