CID 3055062

Aks-19

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

CC1CCC(=O)N1CC#CCN(C)C

InChI

InChI=1S/C11H18N2O/c1-10-6-7-11(14)13(10)9-5-4-8-12(2)3/h10H,6-9H2,1-3H3

InChIKey

YYUALTZHLJSXFR-UHFFFAOYSA-N

Compound name

1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 194.1419 Da
Monoisotopic Mass: 0.3
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]+	195.14918	145.4
[M+Na]+	217.13112	154.4
[M+NH4]+	212.17572	149.2
[M+K]+	233.10506	147.4
[M-H]-	193.13462	138.2
[M+Na-2H]-	215.11657	145.8
[M]+	194.14135	143.5
[M]-	194.14245	143.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.