CID 2998378

89852-17-5

Structural Information

Molecular Formula

C₇H₁₂N₂O₃

SMILES

COC(=O)CC1C(=O)NCCN1

InChI

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

InChIKey

IPEHBEGTVNYMPV-UHFFFAOYSA-N

Compound name

methyl 2-(3-oxopiperazin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 54
Patents: 172.0848 Da
Monoisotopic Mass: -1.2
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	138.1
[M+Na]+	195.07402	146.8
[M+NH4]+	190.11862	143.6
[M+K]+	211.04796	143.2
[M-H]-	171.07752	136.0
[M+Na-2H]-	193.05947	140.2
[M]+	172.08425	138.1
[M]-	172.08535	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe