CID 60647467

4-(prop-2-yn-1-yl)piperazin-2-one

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C#CCN1CCNC(=O)C1

InChI

InChI=1S/C7H10N2O/c1-2-4-9-5-3-8-7(10)6-9/h1H,3-6H2,(H,8,10)

InChIKey

LLADQKTVQKKMJR-UHFFFAOYSA-N

Compound name

4-prop-2-ynylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 138.07932 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]+	139.08660	126.3
[M+Na]+	161.06854	134.5
[M-H]-	137.07204	123.9
[M+NH4]+	156.11314	142.2
[M+K]+	177.04248	131.2
[M+H-H2O]+	121.07658	113.6
[M+HCOO]-	183.07752	138.2
[M+CH3COO]-	197.09317	179.1
[M+Na-2H]-	159.05399	130.8
[M]+	138.07877	115.9
[M]-	138.07987	115.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe