CID 106741458

1698729-14-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C10H14N2O2/c1-4-5-8(13)12-7-6-11-9(14)10(12,2)3/h6-7H2,1-3H3,(H,11,14)

InChIKey

ZNKZIUOFUDECHW-UHFFFAOYSA-N

Compound name

4-but-2-ynoyl-3,3-dimethylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 0.4
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]+	195.112806	140.8
[M+Na]+	217.094748	150.0
[M-H]-	193.098254	139.0
[M+NH4]+	212.139353	157.0
[M+K]+	233.068688	146.2
[M+H-H2O]+	177.102790	129.0
[M+HCOO]-	239.103731	151.5
[M+CH3COO]-	253.119381	188.5
[M+Na-2H]-	215.080196	143.2
[M]+	194.10498142	132.1
[M]-	194.10607858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.