CID 171278

Mauve factor

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CCC1=C(C(NC1=O)(C)O)C

InChI

InChI=1S/C8H13NO2/c1-4-6-5(2)8(3,11)9-7(6)10/h11H,4H2,1-3H3,(H,9,10)

InChIKey

BTIPRYZZYXEGPM-UHFFFAOYSA-N

Compound name

3-ethyl-5-hydroxy-4,5-dimethyl-1H-pyrrol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 0
Patents: 155.09464 Da
Monoisotopic Mass: 0.0
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]+	156.10192	132.9
[M+Na]+	178.08386	143.2
[M+NH4]+	173.12846	141.4
[M+K]+	194.05780	138.5
[M-H]-	154.08736	132.2
[M+Na-2H]-	176.06931	137.4
[M]+	155.09409	134.0
[M]-	155.09519	134.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.