CID 258275

Nsc87059

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

CC(=O)NC1C(=O)NCCN1

InChI

InChI=1S/C6H11N3O2/c1-4(10)9-5-6(11)8-3-2-7-5/h5,7H,2-3H2,1H3,(H,8,11)(H,9,10)

InChIKey

FRCUACSEBOTCRO-UHFFFAOYSA-N

Compound name

N-(3-oxopiperazin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.08513 Da
Monoisotopic Mass: -1.6
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]+	158.09241	134.5
[M+Na]+	180.07435	139.7
[M-H]-	156.07785	132.1
[M+NH4]+	175.11895	150.8
[M+K]+	196.04829	137.4
[M+H-H2O]+	140.08239	127.8
[M+HCOO]-	202.08333	150.9
[M+CH3COO]-	216.09898	172.2
[M+Na-2H]-	178.05980	138.6
[M]+	157.08458	126.7
[M]-	157.08568	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.